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

C15H15N3O3S2 — CID 23004521

IUPAC7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C15H15N3O3S2/c1-10-3-5-12(6-4-10)9-16-23(20,21)13-11(2)17-15-18(14(13)19)7-8-22-15/h3-8,16H,9H2,1-2H3
InChIKeyAJRXDUXYYYORFO-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.85
Rot. Bonds4

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

7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004521) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004521
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C15H15N3O3S2/c1-10-3-5-12(6-4-10)9-16-23(20,21)13-11(2)17-15-18(14(13)19)7-8-22-15/h3-8,16H,9H2,1-2H3
InChIKeyAJRXDUXYYYORFO-UHFFFAOYSA-N
XLogP1.85
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-N-[(4-methylphenyl)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 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004521) is 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1ccc(CNS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1.
What is the InChIKey of 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is AJRXDUXYYYORFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-10-3-5-12(6-4-10)9-16-23(20,21)13-11(2)17-15-18(14(13)19)7-8-22-15/h3-8,16H,9H2,1-2H3.
What are the key properties of 7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
7-methyl-N-[(4-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of 1.85, 4 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)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).