2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid

C11H8FNO2S — CID 171617972

IUPAC2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1cnc(-c2cccc(F)c2C(=O)O)s1
InChIInChI=1S/C11H8FNO2S/c1-6-5-13-10(16-6)7-3-2-4-8(12)9(7)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyCQUVXOUSXXLJRZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.96
Rot. Bonds2

About 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid

2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 171617972) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid
PubChem CID171617972
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1cnc(-c2cccc(F)c2C(=O)O)s1
InChIInChI=1S/C11H8FNO2S/c1-6-5-13-10(16-6)7-3-2-4-8(12)9(7)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyCQUVXOUSXXLJRZ-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid (CID 171617972) is 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid is Cc1cnc(-c2cccc(F)c2C(=O)O)s1.
What is the InChIKey of 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is CQUVXOUSXXLJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-6-5-13-10(16-6)7-3-2-4-8(12)9(7)11(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 2-fluoro-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
2-fluoro-6-(5-methyl-1,3-thiazol-2-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-6-(5-methyl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 171617972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).