Basic information
- Standard SMILES
Cc1cccc(-c2nc(C(=O)O)c(C)s2)c1- InChIKey
BRCDIHVTPKLIQZ-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
Names & identifiers
- Preferred name
- 2-(3-Methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
- IUPAC
- 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
Names & synonyms
334017-72-05-Methyl-2-m-tolyl-thiazole-4-carboxylic acidMFCD218902695-Methyl-2-(m-tolyl)thiazole-4-carboxylic acid2-(3-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid5-Methyl-2-m-tolyl-thiazole-4-carboxylicacid5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylic acidSCHEMBL6496395BRCDIHVTPKLIQZ-UHFFFAOYSA-NF521583
Database identifiers
- PubChem CID
- 22494271
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
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