<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">316221</id>
  <title nil="true"/>
  <common-name>Methyl 2-[4-(4-chlorophenyl)-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazol-5-yl]acetate</common-name>
  <description>Methyl 2-[4-(4-chlorophenyl)-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazol-5-yl]acetate is a chemical compound with the formula C19H17ClN2O3S. It has an average molecular weight of 388.90 g/mol.</description>
  <cas>74241-25-1</cas>
  <pubchem-id>3057828</pubchem-id>
  <chemical-formula>C19H17ClN2O3S</chemical-formula>
  <weight>388.9</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">2026-08-29T13:55:00Z</created-at>
  <updated-at type="dateTime">2026-08-29T13:55:00Z</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>COC(=O)CC1=C(N=C(S1)NCC2=CC=CC=C2O)C3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C19H17ClN2O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C19H17ClN2O3S/c1-25-17(24)10-16-18(12-6-8-14(20)9-7-12)22-19(26-16)21-11-13-4-2-3-5-15(13)23/h2-9,23H,10-11H2,1H3,(H,21,22)</moldb-inchi>
  <moldb-inchikey>KTNMYXKMFXVTCD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">388.0648413</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM312114</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>Methyl 2-[4-(4-chlorophenyl)-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazol-5-yl]acetate</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>CED0267060</sync-id>
  <structure-inchikey>KTNMYXKMFXVTCD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000002001000010000080000000010000000400000000140000000000002040000020000000000000010000000000000000000000400000000000000000000020080010000100000000000000000000000000010080000840000000000000800000000000000000000000000000000000000040020000800000000000000080804000000100000000000000000000000000000000000004000000082000000080000000000000004000000000000040000000000000062100000000000000000010000000000100000200000000000000000001000001000040000000000400000000000040000000400000000000</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��
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:22:20Z</structure-indexed-at>
</compound>
