346448 <common-name>Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</common-name> <description>Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a chemical compound with the formula C27H27N3O6S. With an average molecular weight of 521.60 g/mol, Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a heavy molecule.</description> <cas>609796-51-2</cas> <pubchem-id>5894804</pubchem-id> <chemical-formula>C27H27N3O6S</chemical-formula> <weight>521.6</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-31T09:53:46Z</created-at> <updated-at type="dateTime">2026-08-31T09:53:46Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CN=CC=C4)O</moldb-smiles> <moldb-formula>C27H27N3O6S</moldb-formula> <moldb-inchi>InChI=1S/C27H27N3O6S/c1-4-6-14-36-19-11-9-17(10-12-19)22(31)20-21(18-8-7-13-28-15-18)30(25(33)23(20)32)27-29-16(3)24(37-27)26(34)35-5-2/h7-13,15,21,31H,4-6,14H2,1-3H3/b22-20+</moldb-inchi> <moldb-inchikey>FOZCXYPBVAMDQA-LSDHQDQOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">521.1620568</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM342341</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Pyrrolidinylpyridines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296801</sync-id> <structure-inchikey>FOZCXYPBVAMDQA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000400000800802000000000050002010000000000000000000000000000002000020200000000000002004008000000004000000000000000000000000000000000000030000000000000020000010000100000200000004010000041020010020100400000000010000000000000100000000000000001000101020100040000000800000440000000000000000000000000000020020000101000000000000000000000000084000000008100000080000080000000000000100000040000020005000000000000001000000004000002000000200000000000000000000000001002040000000010420000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>7116c80085328e6581001b64c138a22019809400830520508c3d20428220c84c74060050138000000914410a02c00000246002add08c32210b6ee579c0a04200e7110cc11290560040921060167a2310084585d0532d1f3340040c664c2249040c38252f004c822060480680ddf5824522868070011de10635182e6002510002904c08584ef0820918071252c82c0808393c981244409e8a50240870684084cc50db109318b0c2200a048961057c35144ac000429941084018814b104cc00e12a09000b604980a3319c00684555146900c011010034050200d6002042801830090384d1208c90124114844135d1320a210d0043096c2062e110092805a020846</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAlAAAAKAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGACgAAAADBAYAKAAA AAMEBgBgAAAAAwEHACgAAAADAwYAKAAAAAMECAAoAAAAAwIGACgAAAADBAgA KAAAAAMCBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQQQCgAAAAD AgYAKAAAAAMECAAoAAAAAwIIACgAAAADAgYAYAAAAAICBgBgAAAAAQMGAGAA AAABAwZAKAAAAAMEBkBoAAAAAwMBB0AoAAAAAwMGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEIAGgAAAADAQELAAEAAQIAAgMAAwQABAUgBQZoDAYHaAwH CGgMCAloDAkKaAwICyALDCgCDA0ADQ4ADg8gDxAoAg8RIBESKAIOEyATFGgM FBVoDBUWaAwWF2gMFhggGBkoAhgaIBobABscABUdAA0eAB4faAwfIGgMICFo DCEiaAwiI2gMCyQgCgVoDBEMIBcTaAwjHmgMQgQAAAAGBQoJCAcGBQ8ODQwR BRQTFxYVBh8gISIjHhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:11Z</structure-indexed-at> </compound>