<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362600</id>
  <title nil="true"/>
  <common-name>2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid</common-name>
  <description>2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid is a chemical compound with the formula C7H9NO2S. It has an average molecular weight of 171.22 g/mol.</description>
  <cas>758651-37-5</cas>
  <pubchem-id>19845521</pubchem-id>
  <chemical-formula>C7H9NO2S</chemical-formula>
  <weight>171.22</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">2026-09-01T11:55:28Z</created-at>
  <updated-at type="dateTime">2026-09-01T11:55:28Z</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)CC(=O)O)C</moldb-smiles>
  <moldb-formula>C7H9NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C7H9NO2S/c1-4-5(2)11-6(8-4)3-7(9)10/h3H2,1-2H3,(H,9,10)</moldb-inchi>
  <moldb-inchikey>ICWJRGTUGSJISX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">171.0353997</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM358493</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-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid</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>CED0312661</sync-id>
  <structure-inchikey>ICWJRGTUGSJISX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400800800000000000000002000000000000000000000000000000000000040040000000000002004000000002000000000000000000000000000000000000000000000000000000020000010000000000800000000000000000000010000000000000000000000000020000000000000000000080000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000002000000000000000000000000000000000002000400002000000000000000000000001000000000000000400000800000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>10000200112060408000000000820000084800000040000002420400004000c5000001000800000008001000080000004200080008c00010000443040a0000084110401001040000080102054620100000000504209003200000424080009000c28040000400200200000014430820120028031000d6004150808200010000200440008044002010800120288080008110400124450140a0004081008000044404340000000400008040800012c201002c000408001084018000000000006000000000404000a120080000000210080040000000140402010008004080001000000080000090004000000100400200000000210004002080000000050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(�������`�������(�������(�������h��������`�����������h���h���h���h���������(��	 �
���h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:34Z</structure-indexed-at>
</compound>
