<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">278852</id>
  <title nil="true"/>
  <common-name>N-methyl-n'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide</common-name>
  <description>N-methyl-n'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide belongs to the n-arylamides, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C10H16N4O2S and an average molecular weight of 256.33 g/mol. This compound is further classified under the superclass of organic nitrogen compounds.</description>
  <cas>107811-30-3</cas>
  <pubchem-id>3065364</pubchem-id>
  <chemical-formula>C10H16N4O2S</chemical-formula>
  <weight>256.33</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">2026-08-26T18:46:35Z</created-at>
  <updated-at type="dateTime">2026-08-26T18:46:35Z</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)NC</moldb-smiles>
  <moldb-formula>C10H16N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H16N4O2S/c1-6(2)9-13-14-10(17-9)12-8(16)5-4-7(15)11-3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,14,16)</moldb-inchi>
  <moldb-inchikey>YQAXJUIBAFWYRQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">256.0993969</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</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>CHEM274745</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-methyl-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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>N-arylamides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0230932</sync-id>
  <structure-inchikey>YQAXJUIBAFWYRQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>420000000040000000008000000000000000000020000000000000000000000000000010000000000000004000000020400000000000000000000000000000000000000000000000008002000000000000200000100000000000000000000000000000000100000000800000000000000000000000000000000000000000000000000000c00000001000000000000000800840000000000000000000000000000000000000000000000000000a2000000000020000000000000000000000000000000008000000000000000000000000000000001010000000000001000000000000008000000000000000000000000400000000000000000000000400000000</structure-fingerprint>
  <structure-pattern-fingerprint>4000000009020401800000000108200000000400002520000c3020400204000c4002005000800000088001002080000004200004808c10010200443000a0c000c4110441001004000090100040620010000040804201013240000422000008000c200002004802102000000154108200220080310109c00435180a2002100002004000180c400208180002020808000811140012445014020000080008400084404340000000c00000000942056c211002c0000088010800180002000040020000400006040000020080000400010280000000002200402019100004088001000000081000400000000000004000200000900010904000280000208058000006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@(������@(������@(������@(�������h��������(�������(�������`�������`�������(�������(�������h��������`�����������������h���h���h���h��� �	 	
(�	��������(�� �����h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:54:18Z</structure-indexed-at>
</compound>
