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

C11H8FNO2S — CID 107931351

IUPAC2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(F)c(-c2ncc(C(=O)O)s2)c1
InChIInChI=1S/C11H8FNO2S/c1-6-2-3-8(12)7(4-6)10-13-5-9(16-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyUZPAUPAGULYCTG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.96
Rot. Bonds2

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

2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107931351) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID107931351
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(F)c(-c2ncc(C(=O)O)s2)c1
InChIInChI=1S/C11H8FNO2S/c1-6-2-3-8(12)7(4-6)10-13-5-9(16-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyUZPAUPAGULYCTG-UHFFFAOYSA-N
XLogP2.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 107931854
2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114905337
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 107931868
2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 118091306
2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
CID 104789074
3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
CID 83035353
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
3-(2-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53222818
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 107931341
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 80572029
2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
CID 133061134

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 107931351) is 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1ccc(F)c(-c2ncc(C(=O)O)s2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UZPAUPAGULYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-6-2-3-8(12)7(4-6)10-13-5-9(16-10)11(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid?
2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107931351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).