6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H19ClN4O2S — CID 86977704

About 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86977704) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 86977704
• Molecular Formula: C18H19ClN4O2S
• Molecular Weight: 390.90 g/mol
• Exact Mass: 390.09
• IUPAC Name: 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1
• InChI: InChI=1S/C18H19ClN4O2S/c1-12-2-3-13(19)10-15(12)21-4-6-22(7-5-21)16(24)14-11-20-18-23(17(14)25)8-9-26-18/h2-3,10-11H,4-9H2,1H3
• InChIKey: BHRJJPYCCRDMAO-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 58.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.90
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86977704) is 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1.

What is the InChIKey of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is BHRJJPYCCRDMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-12-2-3-13(19)10-15(12)21-4-6-22(7-5-21)16(24)14-11-20-18-23(17(14)25)8-9-26-18/h2-3,10-11H,4-9H2,1H3.

What are the key properties of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 390.90 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86977704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).