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

C27H27ClN4O4S — CID 98356111

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

(5S)-5-(3-chlorophenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 98356111) has the molecular formula C27H27ClN4O4S and a molecular weight of 539.06 g/mol. Its IUPAC name is (5S)-5-(3-chlorophenyl)-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: (5S)-5-(3-chlorophenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 98356111
• Molecular Formula: C27H27ClN4O4S
• Molecular Weight: 539.06 g/mol
• Exact Mass: 538.14
• IUPAC Name: (5S)-5-(3-chlorophenyl)-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(Cl)c2)cc1
• InChI: InChI=1S/C27H27ClN4O4S/c1-17-24(26(34)30-20-6-8-22(35-2)9-7-20)25(18-4-3-5-19(28)14-18)32-21(16-37-27(32)29-17)15-23(33)31-10-12-36-13-11-31/h3-9,14,16,25H,10-13,15H2,1-2H3,(H,30,34)/t25-/m0/s1
• InChIKey: RAXQNPYESIDXPK-VWLOTQADSA-N
• XLogP: 4.81
• TPSA: 83.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.06
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-chlorophenyl)-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 (5S)-5-(3-chlorophenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 98356111) is (5S)-5-(3-chlorophenyl)-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 (5S)-5-(3-chlorophenyl)-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 (5S)-5-(3-chlorophenyl)-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(Cl)c2)cc1.

What is the InChIKey of (5S)-5-(3-chlorophenyl)-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 RAXQNPYESIDXPK-VWLOTQADSA-N. The full InChI is InChI=1S/C27H27ClN4O4S/c1-17-24(26(34)30-20-6-8-22(35-2)9-7-20)25(18-4-3-5-19(28)14-18)32-21(16-37-27(32)29-17)15-23(33)31-10-12-36-13-11-31/h3-9,14,16,25H,10-13,15H2,1-2H3,(H,30,34)/t25-/m0/s1.

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

(5S)-5-(3-chlorophenyl)-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 539.06 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(3-chlorophenyl)-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 98356111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).