3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

C13H7FN2O3S — CID 44754715

IUPAC3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O
InChIInChI=1S/C13H7FN2O3S/c14-8-3-1-7(2-4-8)10-6-20-13-15-5-9(12(18)19)11(17)16(10)13/h1-6H,(H,18,19)
InChIKeyJWHSVTCAVUEATP-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.26
Rot. Bonds2

About 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 44754715) has the molecular formula C13H7FN2O3S and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID44754715
Molecular FormulaC13H7FN2O3S
Molecular Weight290.28 g/mol
Exact Mass290.02
IUPAC Name3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O
InChIInChI=1S/C13H7FN2O3S/c14-8-3-1-7(2-4-8)10-6-20-13-15-5-9(12(18)19)11(17)16(10)13/h1-6H,(H,18,19)
InChIKeyJWHSVTCAVUEATP-UHFFFAOYSA-N
XLogP2.26
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic 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 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 44754715) is 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is JWHSVTCAVUEATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O3S/c14-8-3-1-7(2-4-8)10-6-20-13-15-5-9(12(18)19)11(17)16(10)13/h1-6H,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 44754715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).