<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364282</id>
  <title nil="true"/>
  <common-name>2-chloro-5-[[(2z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole</common-name>
  <description>2-chloro-5-[[(2z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole is a chemical compound with the formula C8H9ClN4O2S. It has an average molecular weight of 260.70 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3037470</pubchem-id>
  <chemical-formula>C8H9ClN4O2S</chemical-formula>
  <weight>260.7</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">2026-09-01T14:11:23Z</created-at>
  <updated-at type="dateTime">2026-09-01T14:11:23Z</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>C1CN(C(=C[N+](=O)[O-])N1)CC2=CN=C(S2)Cl</moldb-smiles>
  <moldb-formula>C8H9ClN4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C8H9ClN4O2S/c9-8-11-3-6(16-8)4-12-2-1-10-7(12)5-13(14)15/h3,5,10H,1-2,4H2/b7-5-</moldb-inchi>
  <moldb-inchikey>XKVCBURYVNLQRB-ALCCZGGFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">260.0134744</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.9</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>CHEM360175</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>2-chloro-5-[[(2z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole</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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Thiazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314283</sync-id>
  <structure-inchikey>XKVCBURYVNLQRB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000800000000000000000002002000000002010000000000000000000004000000000000000022000000000000020000000000000000000000000000000410000000000000100000020802010000200001000000000400000000000000000000200000000000000000000020100100000000000000000008000000000000000400000200000000000000000000000000000000000000000000000008000040000000000080000000000000000080000008000000000000300000000000000000000000400000000000010000800000000000000040000000000000000000000002040000000000000000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>413200000512000081100400010820008100840000052000013420702200800c4002805000804000000041000080000004200001008c11010000447040a04000c4510400021044000090100004620001004000d04041003240000ca6080000000c300403004002092000000054108003a00080708119c0041598192002300002004000080c40020908800202080c0008111480124400140a00008810084000c4d04320000000c00000043840012c231002c00040880908401a0002000040060000100004040022160081000004010280000008000200402009008004080081040000001000090000000000100080600000100014804002080000000050010043</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������h������� *��������(������ *���ÿ����h��������`������@(������@h�������@(������@(������@(������� ������������� ��(��� ��(��� �� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:00:42Z</structure-indexed-at>
</compound>
