<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365223</id>
  <title nil="true"/>
  <common-name>7-propan-2-yl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one</common-name>
  <description>7-propan-2-yl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is a chemical compound with the formula C9H14N2OS. It has an average molecular weight of 198.29 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3067453</pubchem-id>
  <chemical-formula>C9H14N2OS</chemical-formula>
  <weight>198.29</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">2026-09-01T15:43:04Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:43:04Z</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)C1CC(=O)N2CCSC2=N1</moldb-smiles>
  <moldb-formula>C9H14N2OS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N2OS/c1-6(2)7-5-8(12)11-3-4-13-9(11)10-7/h6-7H,3-5H2,1-2H3</moldb-inchi>
  <moldb-inchikey>ATTZFEAZGKLKQV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">198.0826843</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM361116</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>7-propan-2-yl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one</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>Diazines</klass>
  <subklass>Pyrimidines and pyrimidine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315180</sync-id>
  <structure-inchikey>ATTZFEAZGKLKQV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000200200000000000040000000000000000010000040000001000000020000000000000002000000000000000000000000000000002000000000000000000000000000000000020000010000000000000000000000000000402000000000000000000000000000020024100000000000000000000100000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000010000000004000008000200000000000000080000000000000000000000000800000000000000000000000000000000004000000000040000000000000002000000000008000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`�������`�������`�������`�������(�������(�������(�������`�������`������� ������(�������(�����������������������(��� ����	�	
�
����(������ B���������������
	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:21Z</structure-indexed-at>
</compound>
