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

C14H19N5O2S — CID 20886260

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

7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20886260) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 20886260
• Molecular Formula: C14H19N5O2S
• Molecular Weight: 321.41 g/mol
• Exact Mass: 321.13
• IUPAC Name: 7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1cc(=O)n2nc(NC(C)C(=O)N3CCCCC3)sc2n1
• InChI: InChI=1S/C14H19N5O2S/c1-9-8-11(20)19-14(15-9)22-13(17-19)16-10(2)12(21)18-6-4-3-5-7-18/h8,10H,3-7H2,1-2H3,(H,16,17)
• InChIKey: VHZLZAZPJAQJFA-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.41
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20886260) is 7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

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

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

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

The InChIKey is VHZLZAZPJAQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9-8-11(20)19-14(15-9)22-13(17-19)16-10(2)12(21)18-6-4-3-5-7-18/h8,10H,3-7H2,1-2H3,(H,16,17).

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

7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20886260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).