330937 <common-name>2-[2-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid</common-name> <description>2-[2-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is a chemical compound with the formula C22H21NO4S. It has an average molecular weight of 395.50 g/mol.</description> <cas>116759-18-3</cas> <pubchem-id>6450678</pubchem-id> <chemical-formula>C22H21NO4S</chemical-formula> <weight>395.5</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">2026-08-30T11:38:20Z</created-at> <updated-at type="dateTime">2026-08-30T11:38:20Z</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)C2=C(SC(=N2)C=CC3=CC(=C(C=C3)OC)OC)CC(=O)O</moldb-smiles> <moldb-formula>C22H21NO4S</moldb-formula> <moldb-inchi>InChI=1S/C22H21NO4S/c1-14-4-8-16(9-5-14)22-19(13-21(24)25)28-20(23-22)11-7-15-6-10-17(26-2)18(12-15)27-3/h4-12H,13H2,1-3H3,(H,24,25)/b11-7+</moldb-inchi> <moldb-inchikey>COBAULFRMHDYKV-YRNVUSSQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">395.1191293</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM326830</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>2-[2-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Methoxybenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281479</sync-id> <structure-inchikey>COBAULFRMHDYKV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000800200000000000800002000000000000000001000400000000000000000140000000000002004000000040000000000010000000000000000000000000000800000000000000020000010000300000000000000000000000001010000001040000000100000808020000000000000000000000000000000000040000000000000000000000000804000000000000000000400000000000000000000000000000000080000000000000000000000000000000000000080000000000000000000000000004000000000000000002100402200000000000000000108000001000040000000000480000000000020080000400000004040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h�������@(������@(������@(������@(������@(�������h��������h�������@(������@h�������@(������@(������@h�������@h��������(�������`�������(�������`�������`�������(�������(�������h������������h���h���h���h���h��� ��h�� h� h� �h� � � (� � ��h���h���h���h���h��� ����� �����������(��� ��h���h���h�B��������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:22Z</structure-indexed-at> </compound>