2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C12H10ClNO2S — CID 106817940

IUPAC2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2nc(C)c(C(=O)O)s2)cc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-6-3-4-8(5-9(6)13)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyMUJBFBFSNPKWRS-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.78
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 106817940) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID106817940
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2nc(C)c(C(=O)O)s2)cc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-6-3-4-8(5-9(6)13)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyMUJBFBFSNPKWRS-UHFFFAOYSA-N
XLogP3.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106817947
2-[3-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965127
4-methyl-2-(3-methyl-4-propan-2-ylsulfanylphenyl)-1,3-thiazole-5-carboxylic acid
CID 139312258
2-(3-chloro-1-ethylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 70221922
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
2-(3-chloro-4-methylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470328
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82500263
2-[7-chloro-2-(2-methylpropyl)-1H-indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896284
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 106817940) is 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1ccc(-c2nc(C)c(C(=O)O)s2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MUJBFBFSNPKWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-6-3-4-8(5-9(6)13)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 267.74 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106817940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).