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

C13H19N5O2S — CID 20893138

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

N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893138) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• PubChem CID: 20893138
• Molecular Formula: C13H19N5O2S
• Molecular Weight: 309.40 g/mol
• Exact Mass: 309.13
• IUPAC Name: N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• SMILES: CCC(C)NC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1
• InChI: InChI=1S/C13H19N5O2S/c1-5-8(2)14-10(19)7-17(4)13-16-18-11(20)6-9(3)15-12(18)21-13/h6,8H,5,7H2,1-4H3,(H,14,19)
• InChIKey: CYAUFJMVBBHDTQ-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.40
LogP ≤ 5	0.81
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-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The IUPAC name of N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893138) is N-butan-2-yl-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-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The canonical SMILES for N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is CCC(C)NC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1.

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

The InChIKey is CYAUFJMVBBHDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-5-8(2)14-10(19)7-17(4)13-16-18-11(20)6-9(3)15-12(18)21-13/h6,8H,5,7H2,1-4H3,(H,14,19).

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

N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 309.40 g/mol, XLogP of 0.81, 5 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-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).