N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide

C20H22ClN5O2S — CID 112798956

About N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide

N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 112798956) has the molecular formula C20H22ClN5O2S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
• PubChem CID: 112798956
• Molecular Formula: C20H22ClN5O2S
• Molecular Weight: 431.95 g/mol
• Exact Mass: 431.12
• IUPAC Name: N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
• SMILES: CC(C(=O)Nc1ccccc1Cl)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
• InChI: InChI=1S/C20H22ClN5O2S/c1-14(19(28)23-17-5-3-2-4-16(17)21)25-8-6-24(7-9-25)13-15-12-18(27)26-10-11-29-20(26)22-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,23,28)
• InChIKey: DGXFFDYDMFZGRT-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.95
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?

The IUPAC name of N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide (CID 112798956) is N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?

The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1Cl)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.

What is the InChIKey of N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?

The InChIKey is DGXFFDYDMFZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2S/c1-14(19(28)23-17-5-3-2-4-16(17)21)25-8-6-24(7-9-25)13-15-12-18(27)26-10-11-29-20(26)22-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,23,28).

What are the key properties of N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?

N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 431.95 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 112798956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).