2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C25H19N3O3S — CID 3303221

About 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3303221) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 3303221
• Molecular Formula: C25H19N3O3S
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.11
• IUPAC Name: 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2c(sc(=Cc3ccoc3)c2=O)=N1
• InChI: InChI=1S/C25H19N3O3S/c1-16-21(23(29)27-19-10-6-3-7-11-19)22(18-8-4-2-5-9-18)28-24(30)20(32-25(28)26-16)14-17-12-13-31-15-17/h2-15,22H,1H3,(H,27,29)
• InChIKey: LOXHYEMNCBBPFA-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 76.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3303221) is 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2c(sc(=Cc3ccoc3)c2=O)=N1.

What is the InChIKey of 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is LOXHYEMNCBBPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c1-16-21(23(29)27-19-10-6-3-7-11-19)22(18-8-4-2-5-9-18)28-24(30)20(32-25(28)26-16)14-17-12-13-31-15-17/h2-15,22H,1H3,(H,27,29).

What are the key properties of 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3303221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).