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

C12H10FNO2S — CID 115422773

IUPAC2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(F)cc1-c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C12H10FNO2S/c1-6-3-4-8(13)5-9(6)11-14-10(12(15)16)7(2)17-11/h3-5H,1-2H3,(H,15,16)
InChIKeyDHJBRJXCMBDRKU-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.26
Rot. Bonds2

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

2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115422773) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115422773
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(F)cc1-c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C12H10FNO2S/c1-6-3-4-8(13)5-9(6)11-14-10(12(15)16)7(2)17-11/h3-5H,1-2H3,(H,15,16)
InChIKeyDHJBRJXCMBDRKU-UHFFFAOYSA-N
XLogP3.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526244
2-[2-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422693
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
CID 79831720
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
2-(4-hydroxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 136927712
2-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395624
5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199947
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
methyl 5-methyl-2-(2-methyl-5-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 115422913
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422375

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115422773) is 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1ccc(F)cc1-c1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is DHJBRJXCMBDRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-6-3-4-8(13)5-9(6)11-14-10(12(15)16)7(2)17-11/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115422773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).