304703 <common-name>3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole</common-name> <description>3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C17H10BrN3O2S and an average molecular weight of 400.30 g/mol.</description> <cas>140424-02-8</cas> <pubchem-id>3072114</pubchem-id> <chemical-formula>C17H10BrN3O2S</chemical-formula> <weight>400.3</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">2026-08-28T22:14:01Z</created-at> <updated-at type="dateTime">2026-08-28T22:14:01Z</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)C3=NN=C4N3C(=CS4)C5=CC=C(C=C5)Br</moldb-smiles> <moldb-formula>C17H10BrN3O2S</moldb-formula> <moldb-inchi>InChI=1S/C17H10BrN3O2S/c18-12-4-1-10(2-5-12)13-8-24-17-20-19-16(21(13)17)11-3-6-14-15(7-11)23-9-22-14/h1-8H,9H2</moldb-inchi> <moldb-inchikey>WKZADNCMPQZEDO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">398.96771</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM300596</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>3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole</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>CED0255831</sync-id> <structure-inchikey>WKZADNCMPQZEDO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000000000000000000000008000000000000000000000000000000000001000000200000000002000000000000000400000000000000000000000000880000000000000400000000000800010000000000000802000000000000000000000000000000000100000800400020100000000000000000000004010000100000000000000000000000004880000000000000000000000000000000000000000000004000000080000000000200002000000000000000800000000000001000000000000000100014000000000080000002000000200000000000080000000000000010040000000400400000000000000040000000000000000</structure-fingerprint> 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