7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid

C13H7FN2O3S — CID 155816832

IUPAC7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)c2sc(=O)[nH]c2n1
InChIInChI=1S/C13H7FN2O3S/c14-7-3-1-6(2-4-7)8-5-9(12(17)18)15-11-10(8)20-13(19)16-11/h1-5H,(H,17,18)(H,15,16,19)
InChIKeyNIUZWCAMBVSLKS-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.49
Rot. Bonds2

About 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid

7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 155816832) has the molecular formula C13H7FN2O3S and a molecular weight of 290.28 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID155816832
Molecular FormulaC13H7FN2O3S
Molecular Weight290.28 g/mol
Exact Mass290.02
IUPAC Name7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)c2sc(=O)[nH]c2n1
InChIInChI=1S/C13H7FN2O3S/c14-7-3-1-6(2-4-7)8-5-9(12(17)18)15-11-10(8)20-13(19)16-11/h1-5H,(H,17,18)(H,15,16,19)
InChIKeyNIUZWCAMBVSLKS-UHFFFAOYSA-N
XLogP2.49
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid (CID 155816832) is 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)c2sc(=O)[nH]c2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is NIUZWCAMBVSLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O3S/c14-7-3-1-6(2-4-7)8-5-9(12(17)18)15-11-10(8)20-13(19)16-11/h1-5H,(H,17,18)(H,15,16,19).
What are the key properties of 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid?
7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 155816832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).