2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H20N4OS — CID 133480974

About 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133480974) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 133480974
• Molecular Formula: C15H20N4OS
• Molecular Weight: 304.42 g/mol
• Exact Mass: 304.14
• IUPAC Name: 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCCc1cc(=O)n2nc(N3CCCC4(CC4)C3)sc2n1
• InChI: InChI=1S/C15H20N4OS/c1-2-4-11-9-12(20)19-13(16-11)21-14(17-19)18-8-3-5-15(10-18)6-7-15/h9H,2-8,10H2,1H3
• InChIKey: MXRJZSDRAXEDBA-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 50.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.42
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133480974) is 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N3CCCC4(CC4)C3)sc2n1.

What is the InChIKey of 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is MXRJZSDRAXEDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-4-11-9-12(20)19-13(16-11)21-14(17-19)18-8-3-5-15(10-18)6-7-15/h9H,2-8,10H2,1H3.

What are the key properties of 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 304.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133480974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).