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

C14H12FN3O3S2 — CID 22432714

IUPACN-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FN3O3S2/c1-8-7-22-14-16-9(2)12(13(19)18(8)14)23(20,21)17-11-5-3-10(15)4-6-11/h3-7,17H,1-2H3
InChIKeyYGHMBXGTEAHGKE-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.31
Rot. Bonds3

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

N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 22432714) has the molecular formula C14H12FN3O3S2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID22432714
Molecular FormulaC14H12FN3O3S2
Molecular Weight353.40 g/mol
Exact Mass353.03
IUPAC NameN-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FN3O3S2/c1-8-7-22-14-16-9(2)12(13(19)18(8)14)23(20,21)17-11-5-3-10(15)4-6-11/h3-7,17H,1-2H3
InChIKeyYGHMBXGTEAHGKE-UHFFFAOYSA-N
XLogP2.31
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 22432714) is N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is YGHMBXGTEAHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S2/c1-8-7-22-14-16-9(2)12(13(19)18(8)14)23(20,21)17-11-5-3-10(15)4-6-11/h3-7,17H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 22432714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).