304907 <common-name>6-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4h-1,4-benzoxazin-3-one</common-name> <description>6-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4h-1,4-benzoxazin-3-one belongs to the benzoxazinones, a subclass of benzoxazines within the organic compounds. It is categorized as an organoheterocyclic compound with the formula C17H12ClN3O2S. The compound has an average molecular weight of 357.80 g/mol.</description> <cas>114566-58-4</cas> <pubchem-id>3087436</pubchem-id> <chemical-formula>C17H12ClN3O2S</chemical-formula> <weight>357.8</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">2026-08-28T22:26:46Z</created-at> <updated-at type="dateTime">2026-08-28T22:26:46Z</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>C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl</moldb-smiles> <moldb-formula>C17H12ClN3O2S</moldb-formula> <moldb-inchi>InChI=1S/C17H12ClN3O2S/c18-11-2-4-12(5-3-11)19-17-21-14(9-24-17)10-1-6-15-13(7-10)20-16(22)8-23-15/h1-7,9H,8H2,(H,19,21)(H,20,22)</moldb-inchi> <moldb-inchikey>UWHPZZVJMHGOCN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">357.0338755</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</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>CHEM300800</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>6-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4h-1,4-benzoxazin-3-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>Organoheterocyclic compounds</superklass> <klass>Benzoxazines</klass> <subklass>Benzoxazinones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0256027</sync-id> <structure-inchikey>UWHPZZVJMHGOCN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000080000000000010000008000000000000000000000002000040000000000204000000000000040000000000010000000000000008040000000000040000000002080001000200200000000000000000000000002008000001000000050000080000002000000000010080000000000001000010802000000000020000000008080000000000000000000000000a000000000000000000000000000080000000000000000000000000000000000080000000001010000000000000000020000000010000008000000000200000200000000000000000001000040000000400000000000000000020000000000000000</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">2026-09-19T05:13:48Z</structure-indexed-at> </compound>