N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H12ClN3O2S — CID 4067113

About N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4067113) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 4067113
• Molecular Formula: C15H12ClN3O2S
• Molecular Weight: 333.80 g/mol
• Exact Mass: 333.03
• IUPAC Name: N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12
• InChI: InChI=1S/C15H12ClN3O2S/c1-9-8-22-15-18-7-11(14(21)19(9)15)13(20)17-6-10-4-2-3-5-12(10)16/h2-5,7-8H,6H2,1H3,(H,17,20)
• InChIKey: CLBNIMBTCCNZAI-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 63.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.80
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4067113) is N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is CLBNIMBTCCNZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-9-8-22-15-18-7-11(14(21)19(9)15)13(20)17-6-10-4-2-3-5-12(10)16/h2-5,7-8H,6H2,1H3,(H,17,20).

What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4067113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).