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

C28H30N4O5S — CID 98356117

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

(5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 98356117) has the molecular formula C28H30N4O5S and a molecular weight of 534.64 g/mol. Its IUPAC name is (5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 98356117
• Molecular Formula: C28H30N4O5S
• Molecular Weight: 534.64 g/mol
• Exact Mass: 534.19
• IUPAC Name: (5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N3[C@@H]2c2cccc(OC)c2)cc1
• InChI: InChI=1S/C28H30N4O5S/c1-18-25(27(34)30-20-7-9-22(35-2)10-8-20)26(19-5-4-6-23(15-19)36-3)32-21(17-38-28(32)29-18)16-24(33)31-11-13-37-14-12-31/h4-10,15,17,26H,11-14,16H2,1-3H3,(H,30,34)/t26-/m1/s1
• InChIKey: OPMHBVCABWGUQV-AREMUKBSSA-N
• XLogP: 4.17
• TPSA: 92.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.64
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 98356117) is (5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for (5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N3[C@@H]2c2cccc(OC)c2)cc1.

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

The InChIKey is OPMHBVCABWGUQV-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30N4O5S/c1-18-25(27(34)30-20-7-9-22(35-2)10-8-20)26(19-5-4-6-23(15-19)36-3)32-21(17-38-28(32)29-18)16-24(33)31-11-13-37-14-12-31/h4-10,15,17,26H,11-14,16H2,1-3H3,(H,30,34)/t26-/m1/s1.

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

(5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 534.64 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98356117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).