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

C27H22N4O3S — CID 4649047

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

5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4649047) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 4649047
• Molecular Formula: C27H22N4O3S
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.14
• IUPAC Name: 5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1cccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccccn4)c(=O)n32)c1
• InChI: InChI=1S/C27H22N4O3S/c1-17-23(25(32)30-19-10-4-3-5-11-19)24(18-9-8-13-21(15-18)34-2)31-26(33)22(35-27(31)29-17)16-20-12-6-7-14-28-20/h3-16,24H,1-2H3,(H,30,32)
• InChIKey: DNUPNEIZDDSLFU-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 85.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4649047) is 5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccccn4)c(=O)n32)c1.

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

The InChIKey is DNUPNEIZDDSLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-17-23(25(32)30-19-10-4-3-5-11-19)24(18-9-8-13-21(15-18)34-2)31-26(33)22(35-27(31)29-17)16-20-12-6-7-14-28-20/h3-16,24H,1-2H3,(H,30,32).

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

5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4649047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).