(5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C29H34N4O3S — CID 98389708

About (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 98389708) has the molecular formula C29H34N4O3S and a molecular weight of 518.68 g/mol. Its IUPAC name is (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 98389708
• Molecular Formula: C29H34N4O3S
• Molecular Weight: 518.68 g/mol
• Exact Mass: 518.24
• IUPAC Name: (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccc(OC)cc3)[C@@H](c3ccc(C(C)C)cc3)N12
• InChI: InChI=1S/C29H34N4O3S/c1-7-32(5)25(34)16-23-17-37-29-30-19(4)26(28(35)31-22-12-14-24(36-6)15-13-22)27(33(23)29)21-10-8-20(9-11-21)18(2)3/h8-15,17-18,27H,7,16H2,1-6H3,(H,31,35)/t27-/m1/s1
• InChIKey: FTNBCEQVLOIENM-HHHXNRCGSA-N
• XLogP: 5.90
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.68
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 98389708) is (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccc(OC)cc3)[C@@H](c3ccc(C(C)C)cc3)N12.

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

The InChIKey is FTNBCEQVLOIENM-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H34N4O3S/c1-7-32(5)25(34)16-23-17-37-29-30-19(4)26(28(35)31-22-12-14-24(36-6)15-13-22)27(33(23)29)21-10-8-20(9-11-21)18(2)3/h8-15,17-18,27H,7,16H2,1-6H3,(H,31,35)/t27-/m1/s1.

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

(5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 518.68 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).