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

C15H23N5O2S — CID 20893178

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

N-butan-2-yl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893178) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• PubChem CID: 20893178
• Molecular Formula: C15H23N5O2S
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.16
• IUPAC Name: N-butan-2-yl-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)NC(C)CC)sc2n1
• InChI: InChI=1S/C15H23N5O2S/c1-5-7-11-8-13(22)20-14(17-11)23-15(18-20)19(4)9-12(21)16-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,16,21)
• InChIKey: GIALYFNIUIFUIO-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893178) is N-butan-2-yl-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-butan-2-yl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The canonical SMILES for N-butan-2-yl-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)NC(C)CC)sc2n1.

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

The InChIKey is GIALYFNIUIFUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-5-7-11-8-13(22)20-14(17-11)23-15(18-20)19(4)9-12(21)16-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,16,21).

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

N-butan-2-yl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 337.45 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).