316226 <common-name>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-(4-hydroxyphenyl)methanesulfonic acid</common-name> <description>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-(4-hydroxyphenyl)methanesulfonic acid is a chemical compound with the formula C19H17ClN2O6S2. It has an average molecular weight of 468.90 g/mol.</description> <cas>71013-58-6</cas> <pubchem-id>3054247</pubchem-id> <chemical-formula>C19H17ClN2O6S2</chemical-formula> <weight>468.9</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">2026-08-29T13:55:34Z</created-at> <updated-at type="dateTime">2026-08-29T13:55:34Z</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>COC(=O)CC1=C(N=C(S1)NC(C2=CC=C(C=C2)O)S(=O)(=O)O)C3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C19H17ClN2O6S2</moldb-formula> <moldb-inchi>InChI=1S/C19H17ClN2O6S2/c1-28-16(24)10-15-17(11-2-6-13(20)7-3-11)21-19(29-15)22-18(30(25,26)27)12-4-8-14(23)9-5-12/h2-9,18,23H,10H2,1H3,(H,21,22)(H,25,26,27)</moldb-inchi> <moldb-inchikey>OMMDQMOAJKLGHL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">468.0216563</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM312119</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>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-(4-hydroxyphenyl)methanesulfonic acid</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>Azoles</klass> <subklass>Thiazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0267065</sync-id> <structure-inchikey>OMMDQMOAJKLGHL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000022010000010000080000000000000000400000000140000020000002040000020000000000000010000000000000000000000400000008000000000000020000010402100000000000040000000000000010080000040000000000000800000000000000000000000000000000000000040020400000000000020000080804000000000000000000020000000000000004000000000000400082000000000000000000000080000000000000000000000000000022000000000000000000010000000000100000200008020000000000000000005000040000000000400000000000040000000400000000000</structure-fingerprint> <structure-pattern-fingerprint>5114402085128e4589801b608128a0000080940083052040243520408220084c54061854119080000900410800c00000046002a4408c32010035643940a04000c7110c40129046130090106016f223100c0485d053391f3340040466480249040c30052f0048820060000400ddbc824122c28070010de1441598086002510002904c00080efc82091c063252cc2c0808191c081244401c8a530608304842c0c4c04310109090c00008048860017c37100ad000428941084018000a100cc00612a02042b604900a3201800480545502900c010010434051200d400004080003009080481008c9000c11000013541a308200d0043094c2060ed10010005a000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIAAAAIABBgBgAAAAAQMIACgAAAAD AgYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgZAKAAAAAMEBkAoAAAAAwQHQCgA AAADAwZAKAAAAAMEEEAoAAAAAwIHAGgAAAADAgEGAGAAAAADAQZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEI AGgAAAADAQEQACAAAAAGCAAoAAAAAwIIACgAAAADAggAYAAAAAEBBkAoAAAA AwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AREAIAAAAAELAAEAAQIgAgMoAgIEAAQFAAUGaAwGB2gMBwhoDAgJaAwICiAK CwALDAAMDWgMDQ5oDA4PaAwPEGgMEBFoDA8SIAsTABMUCAITFQgCExYABhcg FxhoDBgZaAwZGmgMGhtoDBscaAwaHQAJBWgMEQxoDBwXaAxCAwAAAAUFBgcI CQYNDg8QEQwGGBkaGxwXFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:21Z</structure-indexed-at> </compound>