308065 <common-name>5-(4-methylphenyl)-2-(4-prop-2-enylpiperazin-1-yl)-1,3-thiazol-4-one</common-name> <description>5-(4-methylphenyl)-2-(4-prop-2-enylpiperazin-1-yl)-1,3-thiazol-4-one belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C17H21N3OS and an average molecular weight of 315.40 g/mol.</description> <cas>50871-43-7</cas> <pubchem-id>3039614</pubchem-id> <chemical-formula>C17H21N3OS</chemical-formula> <weight>315.4</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">2026-08-29T02:22:40Z</created-at> <updated-at type="dateTime">2026-08-29T02:22:40Z</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>CC1=CC=C(C=C1)C2C(=O)N=C(S2)N3CCN(CC3)CC=C</moldb-smiles> <moldb-formula>C17H21N3OS</moldb-formula> <moldb-inchi>InChI=1S/C17H21N3OS/c1-3-8-19-9-11-20(12-10-19)17-18-16(21)15(22-17)14-6-4-13(2)5-7-14/h3-7,15H,1,8-12H2,2H3</moldb-inchi> <moldb-inchikey>MHOOHYZBXVTGIE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">315.1405335</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM303958</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>5-(4-methylphenyl)-2-(4-prop-2-enylpiperazin-1-yl)-1,3-thiazol-4-one</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0259096</sync-id> <structure-inchikey>MHOOHYZBXVTGIE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000020800000000000000000000000020000000000001000000000008000000020000000000000002000000100000000000000000000000000000800000000000000000000000000000020000010000200000000000000000002000000000000000000000000000000000000030108000000002000000000100000000040000000000000000000000000000000000000000000000000000001000000000000000000000200080000000010020010000000008000010800000000000000000000000000000000040000000000000000102000000200000000010010000900000000000040000000000880000000000000000000800000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BgBgAAAAAwEGACgAAAADBAgAKAAAAAMCBwAoAAAAAwMGACgAAAADBBAAIAAA AAIHACgAAAADAwYAYAAAAAICBgBgAAAAAgIHACAAAAADBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBoAAAAAwMBBgBoAAAAAwICCwABAAECaAwCA2gMAwRo DAQFaAwFBmgMBAcABwgACAkoAggKIAoLKAILDAALDSANDgAODwAPEAAQEQAR EgAQEwATFAAUFQgCBgFoDAwHABINAEIDAAAABgEGBQQDAgUIBwwLCgYODxAR Eg0XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:03Z</structure-indexed-at> </compound>