<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365222</id>
  <title nil="true"/>
  <common-name>2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone</common-name>
  <description>2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone is a chemical compound with the formula C9H14N2OS. It has an average molecular weight of 198.29 g/mol.</description>
  <cas>1427011-26-4</cas>
  <pubchem-id>97178760</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">2026-09-01T15:42:59Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:42:59Z</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>CC1=C(SC(=N1)C(C)C)C(=O)CN</moldb-smiles>
  <moldb-formula>C9H14N2OS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N2OS/c1-5(2)9-11-6(3)8(13-9)7(12)4-10/h5H,4,10H2,1-3H3</moldb-inchi>
  <moldb-inchikey>RZRHWLJCRZWAFQ-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>1.6</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>CHEM361115</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>2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone</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>CED0315179</sync-id>
  <structure-inchikey>RZRHWLJCRZWAFQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>42000010000000000000800800000000000000002000800000000000000000000000001000000000000000000000002000008000000000000000000040000000000001000000000000000200000000000020000010000000000000000000000000040000010000000000000000000000000000000000000000000400000000000000000040000000100200000000000000001000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000800000000000040000002004000000000000000000000000000001000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`������@(������@(������@(������@(������@(�������`�������`�������`�������(�������(�������`�������`�����������h���h���h���h�����������	 	
(�	�������h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:21Z</structure-indexed-at>
</compound>
