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

C26H28N4O4S — CID 42832927

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

3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42832927) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 42832927
• Molecular Formula: C26H28N4O4S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.18
• IUPAC Name: 3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3ccccc3OC)N12
• InChI: InChI=1S/C26H28N4O4S/c1-17-23(25(32)29-18-9-5-4-6-10-18)24(20-11-7-8-12-21(20)34-3)30-19(16-35-26(30)28-17)15-22(31)27-13-14-33-2/h4-12,16,24H,13-15H2,1-3H3,(H,27,31)(H,29,32)
• InChIKey: AMRGWPSBTORAPD-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 92.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42832927) is 3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3ccccc3OC)N12.

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

The InChIKey is AMRGWPSBTORAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-17-23(25(32)29-18-9-5-4-6-10-18)24(20-11-7-8-12-21(20)34-3)30-19(16-35-26(30)28-17)15-22(31)27-13-14-33-2/h4-12,16,24H,13-15H2,1-3H3,(H,27,31)(H,29,32).

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

3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-methoxyethylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42832927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).