301725 <common-name>2-[2-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid</common-name> <description>2-[2-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is classified as a benzenoid with the formula C16H17NO5S and an average molecular weight of 335.40 g/mol.</description> <cas>99661-78-6</cas> <pubchem-id>6447755</pubchem-id> <chemical-formula>C16H17NO5S</chemical-formula> <weight>335.4</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">2026-08-28T18:47:28Z</created-at> <updated-at type="dateTime">2026-08-28T18:47:28Z</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>COC1=CC(=CC(=C1OC)OC)C=CC2=NC(=CS2)CC(=O)O</moldb-smiles> <moldb-formula>C16H17NO5S</moldb-formula> <moldb-inchi>InChI=1S/C16H17NO5S/c1-20-12-6-10(7-13(21-2)16(12)22-3)4-5-14-17-11(9-23-14)8-15(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)/b5-4+</moldb-inchi> <moldb-inchikey>RGVOQBGKARQUBU-SNAWJCMRSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">335.0827438</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM297618</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-(3,4,5-trimethoxyphenyl)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>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0252958</sync-id> <structure-inchikey>RGVOQBGKARQUBU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000400000000000000200000000000000000000400000002000000000040400000000002004000000000000000000000000000000000000000080000000800000000000000020000010000300000008000000000000000001010000001040000000100000000020000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000080000000000000080000101000000010000000000004000000020000000000000400080000000000000000088000001000040000800000400000000000020000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGAAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZA KAAAAAMECAAoAAAAAwIGAGAAAAABAwgAKAAAAAMCBgBgAAAAAQMGAGgAAAAD AwEGAGgAAAADAwEGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEQ QCgAAAADAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAaAAAAAMBAQsAAQAB AiACA2gMAwRoDAQFaAwFBmgMBgdoDAcIIAgJAAYKIAoLAAQMIAwNKAINDiAO D2gMDxBoDBARaAwREmgMEBMAExQAFBUoAhQWIAcCaAwSDmgMQgIAAAAGAgcG BQQDBQ8OEhEQFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:21Z</structure-indexed-at> </compound>