N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C13H10FN3O3S2 — CID 22432238

IUPACN-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O3S2/c1-8-11(12(18)17-6-7-21-13(17)15-8)22(19,20)16-10-4-2-9(14)3-5-10/h2-7,16H,1H3
InChIKeyLVSNIRYSTHNCHG-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.00
Rot. Bonds3

About N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 22432238) has the molecular formula C13H10FN3O3S2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID22432238
Molecular FormulaC13H10FN3O3S2
Molecular Weight339.37 g/mol
Exact Mass339.01
IUPAC NameN-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O3S2/c1-8-11(12(18)17-6-7-21-13(17)15-8)22(19,20)16-10-4-2-9(14)3-5-10/h2-7,16H,1H3
InChIKeyLVSNIRYSTHNCHG-UHFFFAOYSA-N
XLogP2.00
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide 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 N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 22432238) is N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is LVSNIRYSTHNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S2/c1-8-11(12(18)17-6-7-21-13(17)15-8)22(19,20)16-10-4-2-9(14)3-5-10/h2-7,16H,1H3.
What are the key properties of N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 339.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 22432238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).