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

C24H29N3O4S — CID 98233913

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

methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98233913) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 98233913
• Molecular Formula: C24H29N3O4S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.19
• IUPAC Name: methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC[C@H]3C)N2[C@@H]1c1ccc(OC)cc1
• InChI: InChI=1S/C24H29N3O4S/c1-15-7-5-6-12-26(15)20(28)13-18-14-32-24-25-16(2)21(23(29)31-4)22(27(18)24)17-8-10-19(30-3)11-9-17/h8-11,14-15,22H,5-7,12-13H2,1-4H3/t15-,22-/m1/s1
• InChIKey: MZCBFKRMLGMMLW-IVZQSRNASA-N
• XLogP: 4.23
• TPSA: 71.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98233913) is methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC[C@H]3C)N2[C@@H]1c1ccc(OC)cc1.

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

The InChIKey is MZCBFKRMLGMMLW-IVZQSRNASA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-15-7-5-6-12-26(15)20(28)13-18-14-32-24-25-16(2)21(23(29)31-4)22(27(18)24)17-8-10-19(30-3)11-9-17/h8-11,14-15,22H,5-7,12-13H2,1-4H3/t15-,22-/m1/s1.

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

methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 455.58 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (5R)-5-(4-methoxyphenyl)-7-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98233913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).