287165 <common-name>N'-(6-methyl-1,3-benzothiazol-2-yl)-n-prop-2-enyloxamide</common-name> <description>N'-(6-methyl-1,3-benzothiazol-2-yl)-n-prop-2-enyloxamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C13H13N3O2S and an average molecular weight of 275.33 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>108679-62-5</cas> <pubchem-id>3065730</pubchem-id> <chemical-formula>C13H13N3O2S</chemical-formula> <weight>275.33</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">2026-08-27T23:31:37Z</created-at> <updated-at type="dateTime">2026-08-27T23:31:37Z</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=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NCC=C</moldb-smiles> <moldb-formula>C13H13N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C13H13N3O2S/c1-3-6-14-11(17)12(18)16-13-15-9-5-4-8(2)7-10(9)19-13/h3-5,7H,1,6H2,2H3,(H,14,17)(H,15,16,18)</moldb-inchi> <moldb-inchikey>QDJUJBRTFCTMGU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">275.0728478</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>CHEM283058</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>N'-(6-methyl-1,3-benzothiazol-2-yl)-n-prop-2-enyloxamide</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0238950</sync-id> <structure-inchikey>QDJUJBRTFCTMGU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000002000000004000000001000000000000000000004000000000000002040000000000000000000000000000400000000000004000000000000000000000020000010000200000800000000000400000000010020000000000000100400000000000008000040020000000004000000000040000400004000000000000080000008000000200000000000000000000000000000000000000200080000000000010000000000000000000000000000000000000000000000000000040000040000000000002000000200002000000000008100000001000040000000000400000001000000000000000000000000</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�B��������������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:37Z</structure-indexed-at> </compound>