<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365092</id>
  <title nil="true"/>
  <common-name>N-(1,3-thiazol-2-yl)-n-(1,5,5-trimethyl-4h-imidazol-2-yl)nitramide</common-name>
  <description>N-(1,3-thiazol-2-yl)-n-(1,5,5-trimethyl-4h-imidazol-2-yl)nitramide is a chemical compound with the formula C9H13N5O2S. It has an average molecular weight of 255.30 g/mol.</description>
  <cas>37385-14-1</cas>
  <pubchem-id>216482</pubchem-id>
  <chemical-formula>C9H13N5O2S</chemical-formula>
  <weight>255.3</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">2026-09-01T15:31:47Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:31:47Z</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>CC1(CN=C(N1C)N(C2=NC=CS2)[N+](=O)[O-])C</moldb-smiles>
  <moldb-formula>C9H13N5O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H13N5O2S/c1-9(2)6-11-7(12(9)3)13(14(15)16)8-10-4-5-17-8/h4-5H,6H2,1-3H3</moldb-inchi>
  <moldb-inchikey>UDMVZIFWYZMZGU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">255.0789959</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.1</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>CHEM360985</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-(1,3-thiazol-2-yl)-n-(1,5,5-trimethyl-4h-imidazol-2-yl)nitramide</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>Guanidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315052</sync-id>
  <structure-inchikey>UDMVZIFWYZMZGU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000a000000080000000000000000400000000000000000120000001000000000000000020000010000000001010000000400000000000004000000200000000004000000000020180000008000000000800000000000048000010000000000000004000100000001000000000000000000020000000000000000000004000080008000000000040080000000000000000000000000001000000000000000000000000000000000000000000000000000000000040000000000000002040000000000000400000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������(�������(�������(�������`�������(������@(������@(������@h�������@h�������@(������ *��������(������ *���ÿ����`�����������������(��� ����� �� �	h�	
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����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:16Z</structure-indexed-at>
</compound>
