365072 <common-name>Propyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate</common-name> <description>Propyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate is a chemical compound with the formula C9H13N3O3S. It has an average molecular weight of 243.29 g/mol.</description> <cas>107811-12-1</cas> <pubchem-id>3065347</pubchem-id> <chemical-formula>C9H13N3O3S</chemical-formula> <weight>243.29</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">2026-09-01T15:29:46Z</created-at> <updated-at type="dateTime">2026-09-01T15:29:46Z</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>CCCOC(=O)CCC(=O)NC1=NN=CS1</moldb-smiles> <moldb-formula>C9H13N3O3S</moldb-formula> <moldb-inchi>InChI=1S/C9H13N3O3S/c1-2-5-15-8(14)4-3-7(13)11-9-12-10-6-16-9/h6H,2-5H2,1H3,(H,11,12,13)</moldb-inchi> <moldb-inchikey>NBAZXRJGYUBEIE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">243.0677625</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</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>CHEM360965</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>Propyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate</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 nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>N-arylamides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315032</sync-id> <structure-inchikey>NBAZXRJGYUBEIE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000040000000008000000000000000100001000000000000000000000000000040020000000000000000000020400000000000000000000000000000000000000000000000000000000000000000200000140001000000000000000000000000200100000000804000020000000000000000000000000000000000000000200000400000000001000000000000800800000000800000000000000000000000000000000000000000000a2000000101000000000000000000000000000000000009000000000000000000000000000008000000000000000001000000000000108000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICCAAoAAAAAwIGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIGAGAA AAACAgYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEGQCgAAAADBAdAKAAAAAMD B0AoAAAAAwMGQGgAAAADAwEQQCgAAAADAgsAAQABAgACAwADBCAEBSgCBAYA BgcABwgACAkoAggKIAoLIAsMaAwMDWgMDQ5oDA4PaAwPC2gMQgEAAAAFCwwN Dg8XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:15Z</structure-indexed-at> </compound>