2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid

C11H8FNO2S — CID 171772896

IUPAC2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid
SMILESCc1ncc(-c2ccc(C(=O)O)c(F)c2)s1
InChIInChI=1S/C11H8FNO2S/c1-6-13-5-10(16-6)7-2-3-8(11(14)15)9(12)4-7/h2-5H,1H3,(H,14,15)
InChIKeyHIHPTTDMWYSMSZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.96
Rot. Bonds2

About 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid

2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid (PubChem CID 171772896) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid
PubChem CID171772896
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid
SMILESCc1ncc(-c2ccc(C(=O)O)c(F)c2)s1
InChIInChI=1S/C11H8FNO2S/c1-6-13-5-10(16-6)7-2-3-8(11(14)15)9(12)4-7/h2-5H,1H3,(H,14,15)
InChIKeyHIHPTTDMWYSMSZ-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

Analyze 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid (CID 171772896) is 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid is Cc1ncc(-c2ccc(C(=O)O)c(F)c2)s1.
What is the InChIKey of 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid?
The InChIKey is HIHPTTDMWYSMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-6-13-5-10(16-6)7-2-3-8(11(14)15)9(12)4-7/h2-5H,1H3,(H,14,15).
What are the key properties of 2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid?
2-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic 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-fluoro-4-(2-methyl-1,3-thiazol-5-yl)benzoic acid is sourced from PubChem (CID 171772896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).