7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H23N5OS — CID 18166953

About 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18166953) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 18166953
• Molecular Formula: C15H23N5OS
• Molecular Weight: 321.45 g/mol
• Exact Mass: 321.16
• IUPAC Name: 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1cc(=O)n2nc(NCC(C)(C)N3CCCCC3)sc2n1
• InChI: InChI=1S/C15H23N5OS/c1-11-9-12(21)20-14(17-11)22-13(18-20)16-10-15(2,3)19-7-5-4-6-8-19/h9H,4-8,10H2,1-3H3,(H,16,18)
• InChIKey: ZXWPMTVTTRFRHI-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.45
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 18166953) is 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(NCC(C)(C)N3CCCCC3)sc2n1.

What is the InChIKey of 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is ZXWPMTVTTRFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-11-9-12(21)20-14(17-11)22-13(18-20)16-10-15(2,3)19-7-5-4-6-8-19/h9H,4-8,10H2,1-3H3,(H,16,18).

What are the key properties of 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18166953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).