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

C14H19N5O2S — CID 6623470

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

7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6623470) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 6623470
• Molecular Formula: C14H19N5O2S
• Molecular Weight: 321.41 g/mol
• Exact Mass: 321.13
• IUPAC Name: 7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1cc(=O)n2nc(N(C)CC(=O)N3CCCCC3)sc2n1
• InChI: InChI=1S/C14H19N5O2S/c1-10-8-11(20)19-13(15-10)22-14(16-19)17(2)9-12(21)18-6-4-3-5-7-18/h8H,3-7,9H2,1-2H3
• InChIKey: TVBLTWLTLRZXJC-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 70.81 Ų
• 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	0.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 6623470) is 7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

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

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

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

The InChIKey is TVBLTWLTLRZXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-8-11(20)19-13(15-10)22-14(16-19)17(2)9-12(21)18-6-4-3-5-7-18/h8H,3-7,9H2,1-2H3.

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

7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 321.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6623470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).