<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">321670</id>
  <title nil="true"/>
  <common-name>3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-5,6-dihydro-2h-imidazo[2,1-b][1,3]thiazol-3-ol</common-name>
  <description>3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-5,6-dihydro-2h-imidazo[2,1-b][1,3]thiazol-3-ol is a chemical compound with the formula C20H20N2O3S. It has an average molecular weight of 368.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3070351</pubchem-id>
  <chemical-formula>C20H20N2O3S</chemical-formula>
  <weight>368.5</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">2026-08-29T21:16:27Z</created-at>
  <updated-at type="dateTime">2026-08-29T21:16:27Z</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>C1CN2C(=N1)SC(C2(C3=CC4=C(C=C3)OCO4)O)CCC5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C20H20N2O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C20H20N2O3S/c23-20(15-7-8-16-17(12-15)25-13-24-16)18(26-19-21-10-11-22(19)20)9-6-14-4-2-1-3-5-14/h1-5,7-8,12,18,23H,6,9-11,13H2</moldb-inchi>
  <moldb-inchikey>LQFAAOFLJHCWBK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">368.1194637</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</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>CHEM317563</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)-5,6-dihydro-2h-imidazo[2,1-b][1,3]thiazol-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>CED0272388</sync-id>
  <structure-inchikey>LQFAAOFLJHCWBK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000800020000000000004000000000000000020000000000000000000000040002000000000002004000000000000400000000008000000000000000008000000000000000000000000800010000000080000002000000000000000010000008000000000104000000000020100000000000000000000100010040008200000800000000000000020000000000108000000001000000000000000000000000004000000080000000010000050000001008000000000000000000000000000000000000004010000000000000000040000000220000000000080000000000000010040080000400000000000000020000080010000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������� ������`������� �����@(������@h�������@(������@(������@h�������@h��������(�������`�������(�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������������� ��(��������������	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:26:25Z</structure-indexed-at>
</compound>
