280422 <common-name>2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone</common-name> <description>2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C11H11N3OS and an average molecular weight of 233.29 g/mol.</description> <cas>69463-59-8</cas> <pubchem-id>3053005</pubchem-id> <chemical-formula>C11H11N3OS</chemical-formula> <weight>233.29</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">2026-08-26T20:26:11Z</created-at> <updated-at type="dateTime">2026-08-26T20:26:11Z</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=NN=C(S1)NCC(=O)C2=CC=CC=C2</moldb-smiles> <moldb-formula>C11H11N3OS</moldb-formula> <moldb-inchi>InChI=1S/C11H11N3OS/c1-8-13-14-11(16-8)12-7-10(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)</moldb-inchi> <moldb-inchikey>ZJHDOYROHOPXHV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">233.0622832</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM276315</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-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0232449</sync-id> <structure-inchikey>ZJHDOYROHOPXHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000008000000000000000000020000000000000000000000000000000000040000200000000000020440000000080000000000000000000000000000000000000000000000000000000200040100000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000c0000000800000000000000080080000000100000000000000000000000000000000000000000000084000000080000080000000000000000200000000000000008000000002200000000000000000040000002000000200000000000000000000000000000040000000000400000000000000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>4000000009020401000000040108200000000400022520000c3020400204000c4002005000800000088001002080000004200020008c30010000443000a08000c4110440021000000080100040620010000001804201013240040422000008000c200404004802102000000154108200220080310129c0041518082002110002004000080c4002081800020208080008111c0012445014820000080008400004404340000000c00000000842013c211002c00000884108401800000000400210004000060400000201800000000502800000000022004020091000040880010000000800004100000000000000022000009000109040002a000002005a000002</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">2026-09-19T04:55:43Z</structure-indexed-at> </compound>