290698 <common-name>2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazol-4-yl]acetic acid</common-name> <description>2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazol-4-yl]acetic acid belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C14H11NO4S and an average molecular weight of 289.31 g/mol.</description> <cas>31109-21-4</cas> <pubchem-id>6444954</pubchem-id> <chemical-formula>C14H11NO4S</chemical-formula> <weight>289.31</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">2026-08-28T04:35:44Z</created-at> <updated-at type="dateTime">2026-08-28T04:35:44Z</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>C1OC2=C(O1)C=C(C=C2)C=CC3=NC(=CS3)CC(=O)O</moldb-smiles> <moldb-formula>C14H11NO4S</moldb-formula> <moldb-inchi>InChI=1S/C14H11NO4S/c16-14(17)6-10-7-20-13(15-10)4-2-9-1-3-11-12(5-9)19-8-18-11/h1-5,7H,6,8H2,(H,16,17)/b4-2+</moldb-inchi> <moldb-inchikey>HPIRCMVGPMRQSP-DUXPYHPUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">289.040879</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM286591</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-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazol-4-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>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0242304</sync-id> <structure-inchikey>HPIRCMVGPMRQSP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000800000400000000000000200000000000000000000000000000000000000040000000000002004000000000000400000000000000000000000000080000000800000000000000020800010000200000008002000000000000001010000001000000000100000000020020000000000000000000000000010000000000000000000000000000000000000000000000000000000000000004000000000000004000000080000000000000000000000000000000000000000000101000000000000000000014000000020000000000000400280000000000080000080000001010040000000400400000000000000000000000000004040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFgAAAIABBgBgAAAAAgIIACgAAAAD AgZAKAAAAAMEBkAoAAAAAwQIACgAAAADAgZAaAAAAAMDAQZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBBgBoAAAAAwMBBgBoAAAAAwMBBkAoAAAAAwQHQCgA AAADAwZAKAAAAAMEBkBoAAAAAwMBEEAoAAAAAwIGAGAAAAACAgYAKAAAAAME CAAoAAAAAwIIAGgAAAADAQELAAEAAQIgAgNoDAMEIAMFaAwFBmgMBgdoDAcI aAwGCSAJCigCCgsgCwxoDAwNaAwNDmgMDg9oDA0QABARABESKAIREyAEAAAI AmgMDwtoDEIDAAAABQABAgMEBgUGBwgCAwUMCw8ODRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:15Z</structure-indexed-at> </compound>