297064 <common-name>N-phenyl-n'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide</common-name> <description>N-phenyl-n'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H18N4O2S and an average molecular weight of 318.40 g/mol.</description> <cas>107811-36-9</cas> <pubchem-id>1390721</pubchem-id> <chemical-formula>C15H18N4O2S</chemical-formula> <weight>318.4</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">2026-08-28T13:17:54Z</created-at> <updated-at type="dateTime">2026-08-28T13:17:54Z</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>CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC2=CC=CC=C2</moldb-smiles> <moldb-formula>C15H18N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C15H18N4O2S/c1-10(2)14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,20)(H,17,19,21)</moldb-inchi> <moldb-inchikey>BCYWANDRWRZLCK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">318.115047</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM292957</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-phenyl-n'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0248452</sync-id> <structure-inchikey>BCYWANDRWRZLCK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>420000000040000000008000000000000000000020000001000000000000000000000010000000000000000000000020440000000000000000000000000000000000000000000000000002000000000000200000100000010000000000000000000000000100000000800000000000000400000000000000000000000000000000000000c00004009000000000000000800840000001000000000000000000000000000000000000000000000a2000000000000000000000000000000000000000000008000000000000000000000000000000001010000000000201000000000000008000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>5000000009120601800001000108200000000400002520000c3020400204000c4002005000800000088041082080000004200024808c30010200643000a0c000c6110441021004000090100040620010000445805201013240000422000208000c200406004802102000000154148200220080710109c00475180a2002310002004000180ce0820818020242082c0008111c0812445014020000080008400084404350000010c00000000942057c25100ac000008841084018000200084002100040008604400002018000040401028000000000220040201d1000040880030000000810004000000000000040122000009000309042002e0008208058000406</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@(������@(������@(������@(�������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">2026-09-19T05:08:05Z</structure-indexed-at> </compound>