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

C15H14ClN3O5S2 — CID 23004529

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c(OC)cc1Cl
InChIInChI=1S/C15H14ClN3O5S2/c1-8-13(14(20)19-4-5-25-15(19)17-8)26(21,22)18-10-7-11(23-2)9(16)6-12(10)24-3/h4-7,18H,1-3H3
InChIKeyUSYFHKYRGPKFLH-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.54
Rot. Bonds5

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

N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004529) has the molecular formula C15H14ClN3O5S2 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004529
Molecular FormulaC15H14ClN3O5S2
Molecular Weight415.88 g/mol
Exact Mass415.01
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c(OC)cc1Cl
InChIInChI=1S/C15H14ClN3O5S2/c1-8-13(14(20)19-4-5-25-15(19)17-8)26(21,22)18-10-7-11(23-2)9(16)6-12(10)24-3/h4-7,18H,1-3H3
InChIKeyUSYFHKYRGPKFLH-UHFFFAOYSA-N
XLogP2.54
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(3-chloro-4-morpholin-4-ylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990182
N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004527
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004533
7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18096639
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60931230
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004529) is N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is COc1cc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is USYFHKYRGPKFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S2/c1-8-13(14(20)19-4-5-25-15(19)17-8)26(21,22)18-10-7-11(23-2)9(16)6-12(10)24-3/h4-7,18H,1-3H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 415.88 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).