N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

C14H19N5O2S — CID 20893210

About N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893210) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• PubChem CID: 20893210
• Molecular Formula: C14H19N5O2S
• Molecular Weight: 321.41 g/mol
• Exact Mass: 321.13
• IUPAC Name: N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• SMILES: CCCc1cc(=O)n2nc(N(C)CC(=O)NC3CC3)sc2n1
• InChI: InChI=1S/C14H19N5O2S/c1-3-4-10-7-12(21)19-13(16-10)22-14(17-19)18(2)8-11(20)15-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,20)
• InChIKey: XILQRUPNIDORNI-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.41
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The IUPAC name of N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893210) is N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

What is the SMILES notation for N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The canonical SMILES for N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is CCCc1cc(=O)n2nc(N(C)CC(=O)NC3CC3)sc2n1.

What is the InChIKey of N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The InChIKey is XILQRUPNIDORNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-4-10-7-12(21)19-13(16-10)22-14(17-19)18(2)8-11(20)15-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,20).

What are the key properties of N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 321.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).