5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C29H32N4O5S — CID 42832978

About 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42832978) has the molecular formula C29H32N4O5S and a molecular weight of 548.67 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 42832978
• Molecular Formula: C29H32N4O5S
• Molecular Weight: 548.67 g/mol
• Exact Mass: 548.21
• IUPAC Name: 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)NCC4CCCO4)N3C2c2cccc(OC)c2)cc1
• InChI: InChI=1S/C29H32N4O5S/c1-18-26(28(35)32-20-9-11-22(36-2)12-10-20)27(19-6-4-7-23(14-19)37-3)33-21(17-39-29(33)31-18)15-25(34)30-16-24-8-5-13-38-24/h4,6-7,9-12,14,17,24,27H,5,8,13,15-16H2,1-3H3,(H,30,34)(H,32,35)
• InChIKey: BXEMZNNRJMWNFP-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 101.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.67
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42832978) is 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)NCC4CCCO4)N3C2c2cccc(OC)c2)cc1.

What is the InChIKey of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is BXEMZNNRJMWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5S/c1-18-26(28(35)32-20-9-11-22(36-2)12-10-20)27(19-6-4-7-23(14-19)37-3)33-21(17-39-29(33)31-18)15-25(34)30-16-24-8-5-13-38-24/h4,6-7,9-12,14,17,24,27H,5,8,13,15-16H2,1-3H3,(H,30,34)(H,32,35).

What are the key properties of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 548.67 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42832978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).