7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H27N5O2S — CID 75468311

About 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 75468311) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 75468311
• Molecular Formula: C19H27N5O2S
• Molecular Weight: 389.53 g/mol
• Exact Mass: 389.19
• IUPAC Name: 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: CC(C)N1CCCC(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1=O
• InChI: InChI=1S/C19H27N5O2S/c1-14(2)23-5-3-4-16(18(23)26)22-8-6-21(7-9-22)13-15-12-17(25)24-10-11-27-19(24)20-15/h10-12,14,16H,3-9,13H2,1-2H3
• InChIKey: QNLWSUOFEXBHLD-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 61.16 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.53
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 75468311) is 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

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

The canonical SMILES for 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)N1CCCC(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1=O.

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

The InChIKey is QNLWSUOFEXBHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-14(2)23-5-3-4-16(18(23)26)22-8-6-21(7-9-22)13-15-12-17(25)24-10-11-27-19(24)20-15/h10-12,14,16H,3-9,13H2,1-2H3.

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

7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 389.53 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 75468311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).