5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C26H25ClN4O3S — CID 42833020

About 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42833020) has the molecular formula C26H25ClN4O3S and a molecular weight of 509.03 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 42833020
• Molecular Formula: C26H25ClN4O3S
• Molecular Weight: 509.03 g/mol
• Exact Mass: 508.13
• IUPAC Name: 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2C1c1ccc(Cl)cc1
• InChI: InChI=1S/C26H25ClN4O3S/c1-15-23(25(33)30-20-5-3-4-6-21(20)34-2)24(16-7-9-17(27)10-8-16)31-19(14-35-26(31)28-15)13-22(32)29-18-11-12-18/h3-10,14,18,24H,11-13H2,1-2H3,(H,29,32)(H,30,33)
• InChIKey: VKDDDVWNYVZPSW-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 83.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.03
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42833020) is 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2C1c1ccc(Cl)cc1.

What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is VKDDDVWNYVZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3S/c1-15-23(25(33)30-20-5-3-4-6-21(20)34-2)24(16-7-9-17(27)10-8-16)31-19(14-35-26(31)28-15)13-22(32)29-18-11-12-18/h3-10,14,18,24H,11-13H2,1-2H3,(H,29,32)(H,30,33).

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

5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 509.03 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-3-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42833020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).