N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide

C25H23N5O3S — CID 46632626

About N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide

N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 46632626) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide
• PubChem CID: 46632626
• Molecular Formula: C25H23N5O3S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.15
• IUPAC Name: N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide
• SMILES: O=C(Nc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1)c1ccccc1
• InChI: InChI=1S/C25H23N5O3S/c31-22-16-21(27-25-30(22)14-15-34-25)17-28-10-12-29(13-11-28)24(33)19-6-8-20(9-7-19)26-23(32)18-4-2-1-3-5-18/h1-9,14-16H,10-13,17H2,(H,26,32)
• InChIKey: RFAFVNSDEMOVTQ-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 87.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide?

The IUPAC name of N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide (CID 46632626) is N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide.

What is the SMILES notation for N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide?

The canonical SMILES for N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1)c1ccccc1.

What is the InChIKey of N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide?

The InChIKey is RFAFVNSDEMOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c31-22-16-21(27-25-30(22)14-15-34-25)17-28-10-12-29(13-11-28)24(33)19-6-8-20(9-7-19)26-23(32)18-4-2-1-3-5-18/h1-9,14-16H,10-13,17H2,(H,26,32).

What are the key properties of N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide?

N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 473.56 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 46632626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).