2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C20H25N5O2S — CID 133339043

About 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 133339043) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 133339043
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: CCCc1cc(=O)n2nc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)sc2n1
• InChI: InChI=1S/C20H25N5O2S/c1-6-7-15-10-17(27)25-19(21-15)28-20(23-25)24(5)11-16(26)22-18-13(3)8-12(2)9-14(18)4/h8-10H,6-7,11H2,1-5H3,(H,22,26)
• InChIKey: DEXMDMSUPBNHNR-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?

The IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 133339043) is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

What is the SMILES notation for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?

The canonical SMILES for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide is CCCc1cc(=O)n2nc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)sc2n1.

What is the InChIKey of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?

The InChIKey is DEXMDMSUPBNHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-6-7-15-10-17(27)25-19(21-15)28-20(23-25)24(5)11-16(26)22-18-13(3)8-12(2)9-14(18)4/h8-10H,6-7,11H2,1-5H3,(H,22,26).

What are the key properties of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?

2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 133339043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).