4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid

C12H11NO2S — CID 82129018

IUPAC4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C)c(-c2ncsc2C(=O)O)c1
InChIInChI=1S/C12H11NO2S/c1-7-3-4-8(2)9(5-7)10-11(12(14)15)16-6-13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyZZURDCZRZQFFQN-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.13
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid

4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82129018) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82129018
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C)c(-c2ncsc2C(=O)O)c1
InChIInChI=1S/C12H11NO2S/c1-7-3-4-8(2)9(5-7)10-11(12(14)15)16-6-13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyZZURDCZRZQFFQN-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
Ethyl 4-phenylthiazole-5-carboxylate
CID 13441325
4-(1,3-Thiazol-4-yl)benzoic acid
CID 43314757
5-Thiazolecarboxylic acid, 2-methoxy-4-phenyl-
CID 3063103
2-methyl-4-phenyl-1,3-thiazole-5-carboxylic Acid
CID 7131132
5-Thiazolecarboxylic acid, 2-cyclopropyl-4-phenyl-
CID 71695385
2-(4-Ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4962604
Diphenyl-1,3-thiazole-5-carboxylic acid
CID 7131193
2-Chloro-4-phenylthiazole-5-carboxylic acid
CID 13041828
4-Phenylthiazole-5-carboxylic acid
CID 13441329
4-Methyl-2-(2-methylphenyl)-5-thiazolecarboxylic acid
CID 43090452
2-(2,4-Dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43090453

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid (CID 82129018) is 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1ccc(C)c(-c2ncsc2C(=O)O)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZZURDCZRZQFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-3-4-8(2)9(5-7)10-11(12(14)15)16-6-13-10/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82129018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).