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

C14H13N3O3S2 — CID 22432219

IUPAC7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C14H13N3O3S2/c1-9-3-5-11(6-4-9)16-22(19,20)12-10(2)15-14-17(13(12)18)7-8-21-14/h3-8,16H,1-2H3
InChIKeyWDBXWFSYLGZUDL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.17
Rot. Bonds3

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

7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 22432219) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID22432219
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC Name7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C14H13N3O3S2/c1-9-3-5-11(6-4-9)16-22(19,20)12-10(2)15-14-17(13(12)18)7-8-21-14/h3-8,16H,1-2H3
InChIKeyWDBXWFSYLGZUDL-UHFFFAOYSA-N
XLogP2.17
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 22432219) is 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1.
What is the InChIKey of 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is WDBXWFSYLGZUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-9-3-5-11(6-4-9)16-22(19,20)12-10(2)15-14-17(13(12)18)7-8-21-14/h3-8,16H,1-2H3.
What are the key properties of 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 22432219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).