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

C14H12FN3O3S2 — CID 46274742

IUPACN-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1c(C)nc2sccn2c1=O
InChIInChI=1S/C14H12FN3O3S2/c1-8-3-4-10(15)7-11(8)17-23(20,21)12-9(2)16-14-18(13(12)19)5-6-22-14/h3-7,17H,1-2H3
InChIKeyAKSOBWNFAOWYKU-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.31
Rot. Bonds3

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

N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 46274742) has the molecular formula C14H12FN3O3S2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID46274742
Molecular FormulaC14H12FN3O3S2
Molecular Weight353.40 g/mol
Exact Mass353.03
IUPAC NameN-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1c(C)nc2sccn2c1=O
InChIInChI=1S/C14H12FN3O3S2/c1-8-3-4-10(15)7-11(8)17-23(20,21)12-9(2)16-14-18(13(12)19)5-6-22-14/h3-7,17H,1-2H3
InChIKeyAKSOBWNFAOWYKU-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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Related Compounds

N-(3-chloro-4-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 22432189
N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004529
7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004533
N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004527
N-(3-chloro-4-morpholin-4-ylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990182
6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 155946192
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310
2-chloro-5-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107527401
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458961

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 46274742) is N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1c(C)nc2sccn2c1=O.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is AKSOBWNFAOWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S2/c1-8-3-4-10(15)7-11(8)17-23(20,21)12-9(2)16-14-18(13(12)19)5-6-22-14/h3-7,17H,1-2H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-(5-fluoro-2-methylphenyl)-7-methyl-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-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 46274742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).