326732 <common-name>3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol</common-name> <description>3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol is a chemical compound with the formula C21H22N2O3S. It has an average molecular weight of 382.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3070365</pubchem-id> <chemical-formula>C21H22N2O3S</chemical-formula> <weight>382.5</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">2026-08-30T05:14:25Z</created-at> <updated-at type="dateTime">2026-08-30T05:14:25Z</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=C2N(C1)C(C(S2)CCC3=CC=CC=C3)(C4=CC5=C(C=C4)OCO5)O</moldb-smiles> <moldb-formula>C21H22N2O3S</moldb-formula> <moldb-inchi>InChI=1S/C21H22N2O3S/c24-21(16-8-9-17-18(13-16)26-14-25-17)19(10-7-15-5-2-1-3-6-15)27-20-22-11-4-12-23(20)21/h1-3,5-6,8-9,13,19,24H,4,7,10-12,14H2</moldb-inchi> <moldb-inchikey>UHGLVGMVKZDJPC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">382.1351137</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM322625</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>3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol</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>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0277349</sync-id> <structure-inchikey>UHGLVGMVKZDJPC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000800020000000000004000000000000000020000000000000000000000040002000000000002004000000000000400000000008000000000000000008000000000000000000000000800010000000080000002010000000000000010000008000000000104000000000020100000200000000000000100810040008200000800000000000000020000000000108000000001000000000000000000000000004000000080010000010000050000001008000000000000000000000000000000000000004010000000000000000040000000220000000000080000000000000010040080000400000000000000000000080000000000000</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� �h���h���h������h���h���h���h���h��� �����������������h���h��� B������������������� ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:17Z</structure-indexed-at> </compound>