7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H22N4OS — CID 133356910

About 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133356910) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 133356910
• Molecular Formula: C14H22N4OS
• Molecular Weight: 294.42 g/mol
• Exact Mass: 294.15
• IUPAC Name: 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCc1cc(=O)n2nc(N(CC)CC(C)CC)sc2n1
• InChI: InChI=1S/C14H22N4OS/c1-5-10(4)9-17(7-3)14-16-18-12(19)8-11(6-2)15-13(18)20-14/h8,10H,5-7,9H2,1-4H3
• InChIKey: ULXGROVGAKCQHD-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 50.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.42
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133356910) is 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

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

The canonical SMILES for 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N(CC)CC(C)CC)sc2n1.

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

The InChIKey is ULXGROVGAKCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-5-10(4)9-17(7-3)14-16-18-12(19)8-11(6-2)15-13(18)20-14/h8,10H,5-7,9H2,1-4H3.

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

7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 294.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133356910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).