2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

C15H12ClN3O2S — CID 16933445

IUPAC2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c1-9-13(14(21)19-6-7-22-15(19)17-9)18-12(20)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,20)
InChIKeyCBMPZXSUJGSQCF-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 16933445) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID16933445
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c1-9-13(14(21)19-6-7-22-15(19)17-9)18-12(20)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,20)
InChIKeyCBMPZXSUJGSQCF-UHFFFAOYSA-N
XLogP2.90
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)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 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 16933445) is 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is Cc1nc2sccn2c(=O)c1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is CBMPZXSUJGSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-9-13(14(21)19-6-7-22-15(19)17-9)18-12(20)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 333.80 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 16933445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).