<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341865</id>
  <title nil="true"/>
  <common-name>Ethyl (2e)-7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</common-name>
  <description>Ethyl (2e)-7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a chemical compound with the formula C25H24N2O3S3. It has an average molecular weight of 496.70 g/mol.</description>
  <cas>292641-83-9</cas>
  <pubchem-id>16428026</pubchem-id>
  <chemical-formula>C25H24N2O3S3</chemical-formula>
  <weight>496.7</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">2026-08-31T02:32:49Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:32:49Z</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>CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CC=C(C=C4)SC)S2)C</moldb-smiles>
  <moldb-formula>C25H24N2O3S3</moldb-formula>
  <moldb-inchi>InChI=1S/C25H24N2O3S3/c1-5-30-24(29)21-15(2)26-25-27(22(21)17-8-12-19(32-4)13-9-17)23(28)20(33-25)14-16-6-10-18(31-3)11-7-16/h6-14,22H,5H2,1-4H3/b20-14+</moldb-inchi>
  <moldb-inchikey>WKMXYIKYILIQNF-XSFVSMFZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">496.0949062</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM337758</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>Ethyl (2e)-7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</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>Organosulfur compounds</superklass>
  <klass>Thioethers</klass>
  <subklass>Aryl thioethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0292260</sync-id>
  <structure-inchikey>WKMXYIKYILIQNF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000008000000008040000500020000000000000000000000000000040020000200000000000000020002000000000000000000000000000800000000000000000000000000000000000200800100003000000000000000100000000000110000000080000000000000000000101000000000000000000001000000000400000000000000000000800000040002000000000000200010008010000000000400000000000000800000000001000000000000001000000c0000000000000000400000000008020000000000000000000003000000200000400004810000000000000000040000000000400000000000000000002000002004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���$���€���`�������`�������(�������(�������(�������(�������(�������(������@(������@(�������`������@(������@h�������@h�������@(������@h�������@h�������� ������`������@(�������(������@(�������h�������@(������@h�������@h�������@(������@h�������@h�������� ������`������@(�������`�������������� ��(��� ��(��� ��(��	h�	
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	�����������	��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:41Z</structure-indexed-at>
</compound>
