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0K7

Summary
Name:2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
Synonyms:MO07123
Formula:C11 H9 N O2 S
Formal charge:0
Formula weight:219.26 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
OpenEye OEToolkits1.7.62-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1nc(sc1)c2ccc(cc2)C
InChIInChI1.03InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyInChI1.03MTVWIZYQYPRZGZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ccc(cc1)c2scc(n2)C(O)=O
SMILESCACTVS3.370Cc1ccc(cc1)c2scc(n2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc(cc1)c2nc(cs2)C(=O)O
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)c2nc(cs2)C(=O)O

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PDB entries from 2024-03-27

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