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

C11H8FNO3S — CID 29078187

IUPAC3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
SMILESCc1nc(-c2cc(F)c(O)c(C(=O)O)c2)cs1
InChIInChI=1S/C11H8FNO3S/c1-5-13-9(4-17-5)6-2-7(11(15)16)10(14)8(12)3-6/h2-4,14H,1H3,(H,15,16)
InChIKeyNALNINAFVMDQGF-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.66
Rot. Bonds2

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

3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid (PubChem CID 29078187) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
PubChem CID29078187
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
SMILESCc1nc(-c2cc(F)c(O)c(C(=O)O)c2)cs1
InChIInChI=1S/C11H8FNO3S/c1-5-13-9(4-17-5)6-2-7(11(15)16)10(14)8(12)3-6/h2-4,14H,1H3,(H,15,16)
InChIKeyNALNINAFVMDQGF-UHFFFAOYSA-N
XLogP2.66
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid (CID 29078187) is 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid is Cc1nc(-c2cc(F)c(O)c(C(=O)O)c2)cs1.
What is the InChIKey of 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is NALNINAFVMDQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c1-5-13-9(4-17-5)6-2-7(11(15)16)10(14)8(12)3-6/h2-4,14H,1H3,(H,15,16).
What are the key properties of 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid?
3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 253.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 29078187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).