N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide

C17H17N3O2S — CID 53019406

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C17H17N3O2S/c1-10-6-4-5-7-13(10)8-14(21)19-15-12(3)18-17-20(16(15)22)11(2)9-23-17/h4-7,9H,8H2,1-3H3,(H,19,21)
InChIKeyFTKPGOHXNDXZGE-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.86
Rot. Bonds3

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide (PubChem CID 53019406) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide
PubChem CID53019406
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C17H17N3O2S/c1-10-6-4-5-7-13(10)8-14(21)19-15-12(3)18-17-20(16(15)22)11(2)9-23-17/h4-7,9H,8H2,1-3H3,(H,19,21)
InChIKeyFTKPGOHXNDXZGE-UHFFFAOYSA-N
XLogP2.86
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide 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 N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide (CID 53019406) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1c(C)nc2scc(C)n2c1=O.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is FTKPGOHXNDXZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-6-4-5-7-13(10)8-14(21)19-15-12(3)18-17-20(16(15)22)11(2)9-23-17/h4-7,9H,8H2,1-3H3,(H,19,21).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 53019406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).