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

C14H19N5O2S — CID 20893142

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

N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893142) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• PubChem CID: 20893142
• Molecular Formula: C14H19N5O2S
• Molecular Weight: 321.41 g/mol
• Exact Mass: 321.13
• IUPAC Name: N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• SMILES: Cc1cc(=O)n2nc(N(C)CC(=O)NC3CCCC3)sc2n1
• InChI: InChI=1S/C14H19N5O2S/c1-9-7-12(21)19-13(15-9)22-14(17-19)18(2)8-11(20)16-10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H,16,20)
• InChIKey: VNYMXSKONSDOCI-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.41
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893142) is N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is Cc1cc(=O)n2nc(N(C)CC(=O)NC3CCCC3)sc2n1.

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

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

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

N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 321.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).