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

C12H10FNO2S — CID 62308714

IUPAC2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2nc(C)c(C(=O)O)s2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-6-3-4-8(9(13)5-6)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyOERCXTGUQYFENE-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.26
Rot. Bonds2

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

2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62308714) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62308714
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2nc(C)c(C(=O)O)s2)c(F)c1
InChIInChI=1S/C12H10FNO2S/c1-6-3-4-8(9(13)5-6)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyOERCXTGUQYFENE-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

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
2-(2-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359912
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82091190
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62308724
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491
1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55056781
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
3-amino-5-(2-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83035985
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168
ethyl 2-(2-fluoro-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526312

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62308714) is 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1ccc(-c2nc(C)c(C(=O)O)s2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OERCXTGUQYFENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-6-3-4-8(9(13)5-6)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-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-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62308714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).