<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365251</id>
  <title nil="true"/>
  <common-name>N'-propan-2-yl-n-(1,3,4-thiadiazol-2-yl)butanediamide</common-name>
  <description>N'-propan-2-yl-n-(1,3,4-thiadiazol-2-yl)butanediamide is a chemical compound with the formula C9H14N4O2S. It has an average molecular weight of 242.30 g/mol.</description>
  <cas>107811-27-8</cas>
  <pubchem-id>3065362</pubchem-id>
  <chemical-formula>C9H14N4O2S</chemical-formula>
  <weight>242.3</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">2026-09-01T15:45:09Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:45:09Z</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)NC(=O)CCC(=O)NC1=NN=CS1</moldb-smiles>
  <moldb-formula>C9H14N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N4O2S/c1-6(2)11-7(14)3-4-8(15)12-9-13-10-5-16-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13,15)</moldb-inchi>
  <moldb-inchikey>CSSYWLJETIHDEA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">242.0837469</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.1</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>CHEM361144</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'-propan-2-yl-n-(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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>N-arylamides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315207</sync-id>
  <structure-inchikey>CSSYWLJETIHDEA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000040000000008000000004000000000000000000000000000000000000000050000000000000000000000020400000000000000000000000000000000000000000000000000000000000000000200000100000000000000000000000000000000100000000804000000000010000000000000001000000000000000008000000400000000001000000000000800800000000800000000000000000000000000000000000000000000a0000080100000000000000000000000000000000000009000000000000000000000000000008000000000000000001000000000000108000000000000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������h��������(�������(�������`�������`�������(�������(�������h�������@(������@(������@(������@h�������@(����������������� ��(�����������	(��
 
� ��h��h��h���h���h�B�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:22Z</structure-indexed-at>
</compound>
