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

C19H23N5O2S — CID 20893204

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

N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893204) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
• PubChem CID: 20893204
• Molecular Formula: C19H23N5O2S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.16
• IUPAC Name: N-(2,4-dimethylphenyl)-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)Nc3ccc(C)cc3C)sc2n1
• InChI: InChI=1S/C19H23N5O2S/c1-5-6-14-10-17(26)24-18(20-14)27-19(22-24)23(4)11-16(25)21-15-8-7-12(2)9-13(15)3/h7-10H,5-6,11H2,1-4H3,(H,21,25)
• InChIKey: BFCWKLBOALWIGL-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893204) is N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?

The canonical SMILES for N-(2,4-dimethylphenyl)-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)Nc3ccc(C)cc3C)sc2n1.

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

The InChIKey is BFCWKLBOALWIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-5-6-14-10-17(26)24-18(20-14)27-19(22-24)23(4)11-16(25)21-15-8-7-12(2)9-13(15)3/h7-10H,5-6,11H2,1-4H3,(H,21,25).

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

N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).