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

C26H26N4O2S — CID 98369915

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

(5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 98369915) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 98369915
• Molecular Formula: C26H26N4O2S
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.18
• IUPAC Name: (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C)c2)N2C(CC(=O)NC3CC3)=CSC2=N1
• InChI: InChI=1S/C26H26N4O2S/c1-16-7-6-8-18(13-16)24-23(25(32)29-19-9-4-3-5-10-19)17(2)27-26-30(24)21(15-33-26)14-22(31)28-20-11-12-20/h3-10,13,15,20,24H,11-12,14H2,1-2H3,(H,28,31)(H,29,32)/t24-/m1/s1
• InChIKey: RESQTTIFNBHSQJ-XMMPIXPASA-N
• XLogP: 4.88
• TPSA: 73.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 98369915) is (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C)c2)N2C(CC(=O)NC3CC3)=CSC2=N1.

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

The InChIKey is RESQTTIFNBHSQJ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-16-7-6-8-18(13-16)24-23(25(32)29-19-9-4-3-5-10-19)17(2)27-26-30(24)21(15-33-26)14-22(31)28-20-11-12-20/h3-10,13,15,20,24H,11-12,14H2,1-2H3,(H,28,31)(H,29,32)/t24-/m1/s1.

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

(5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98369915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).