2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H24N4O3S — CID 86892256

About 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86892256) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 86892256
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: O=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCC(N2CCCC2=O)CC1
• InChI: InChI=1S/C23H24N4O3S/c28-20-7-4-10-26(20)17-8-11-25(12-9-17)21(29)19-14-24-23-27(22(19)30)15-18(31-23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2
• InChIKey: NKBTYJPJKXXIAY-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 74.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86892256) is 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCC(N2CCCC2=O)CC1.

What is the InChIKey of 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is NKBTYJPJKXXIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-20-7-4-10-26(20)17-8-11-25(12-9-17)21(29)19-14-24-23-27(22(19)30)15-18(31-23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2.

What are the key properties of 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 436.54 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86892256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).