300380 <common-name>2-(5-anilino-1,3,4-thiadiazol-2-yl)-1-phenylethanone</common-name> <description>2-(5-anilino-1,3,4-thiadiazol-2-yl)-1-phenylethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C16H13N3OS and an average molecular weight of 295.40 g/mol. This substance is further classified as an organic oxygen compound.</description> <cas>132334-18-0</cas> <pubchem-id>3076731</pubchem-id> <chemical-formula>C16H13N3OS</chemical-formula> <weight>295.4</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">2026-08-28T17:15:28Z</created-at> <updated-at type="dateTime">2026-08-28T17:15:28Z</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>C1=CC=C(C=C1)C(=O)CC2=NN=C(S2)NC3=CC=CC=C3</moldb-smiles> <moldb-formula>C16H13N3OS</moldb-formula> <moldb-inchi>InChI=1S/C16H13N3OS/c20-14(12-7-3-1-4-8-12)11-15-18-19-16(21-15)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)</moldb-inchi> <moldb-inchikey>AOIBZAZYUCXJCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">295.0779332</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM296273</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-anilino-1,3,4-thiadiazol-2-yl)-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>CED0251656</sync-id> <structure-inchikey>AOIBZAZYUCXJCP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000800002000000100000000000000100000000000000000040000000000002044000000000000000000000000100000000000000000000000000000000000000020000010000001000000000000000000000000010000000000000000000000000000000000000000000000000000000000000080000000800000000000000080080000000100000000000000000000000000000000000000000000084000000000000000000000000000000000080000000080002000000000200000000020000000040000000000000200000000000000000000000000000040000000001400000000000000004200000000000080</structure-fingerprint> <structure-pattern-fingerprint>4010000009120441800009000108200000000400002520000c3120400204000c4002005000800000088041082080000004200024408c30010020643000a0c000c6110c41021004000090100040620010000401805201013240040422000248000c200406004802102000040144148200220080710129c0045518082002710002004000080ce0820818020242082c0008111c0812445014820000080008400084404350000810c00000000842017c25100ac00002884108401800020008c002100040000604400002018000000405028000000000220040201d1000040880030000000810004100000000000040022000009000309042002e000802005a000400</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFwAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGACgAAAAD BAgAKAAAAAMCBgBgAAAAAgIGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQCgA AAADBBBAKAAAAAMCBwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwELAAFoDAECaAwCA2gMAwRo DAQFaAwDBiAGBygCBggACAkACQpoDAoLaAwLDGgMDA1oDAwOIA4PIA8QaAwQ EWgMERJoDBITaAwTFGgMBQBoDA0JaAwUD2gMQgMAAAAGAAUEAwIBBQoJDQwL BhAREhMUDxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:27Z</structure-indexed-at> </compound>