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

C25H32N4O5S — CID 98356072

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

methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98356072) has the molecular formula C25H32N4O5S and a molecular weight of 500.62 g/mol. Its IUPAC name is methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 98356072
• Molecular Formula: C25H32N4O5S
• Molecular Weight: 500.62 g/mol
• Exact Mass: 500.21
• IUPAC Name: methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@@H](c4ccc(OC)cc4)N23)CC1
• InChI: InChI=1S/C25H32N4O5S/c1-17-22(24(31)34-4)23(18-5-7-20(33-3)8-6-18)29-19(16-35-25(29)26-17)15-21(30)28-11-9-27(10-12-28)13-14-32-2/h5-8,16,23H,9-15H2,1-4H3/t23-/m1/s1
• InChIKey: ZGYPKDHJTFXQGH-HSZRJFAPSA-N
• XLogP: 2.62
• TPSA: 83.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.62
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98356072) is methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@@H](c4ccc(OC)cc4)N23)CC1.

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

The InChIKey is ZGYPKDHJTFXQGH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H32N4O5S/c1-17-22(24(31)34-4)23(18-5-7-20(33-3)8-6-18)29-19(16-35-25(29)26-17)15-21(30)28-11-9-27(10-12-28)13-14-32-2/h5-8,16,23H,9-15H2,1-4H3/t23-/m1/s1.

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

methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 500.62 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (5R)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98356072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).