4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide

C19H20N4OS — CID 99783852

About 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide

4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (PubChem CID 99783852) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
• PubChem CID: 99783852
• Molecular Formula: C19H20N4OS
• Molecular Weight: 352.46 g/mol
• Exact Mass: 352.14
• IUPAC Name: 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
• SMILES: C=Cc1ccc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1
• InChI: InChI=1S/C19H20N4OS/c1-3-14-7-9-15(10-8-14)19(24)20-16(11-13-25-2)18-22-21-17-6-4-5-12-23(17)18/h3-10,12,16H,1,11,13H2,2H3,(H,20,24)/t16-/m0/s1
• InChIKey: WJRYSRVUPKBGBY-INIZCTEOSA-N
• XLogP: 3.60
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

The IUPAC name of 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (CID 99783852) is 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.

What is the SMILES notation for 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

The canonical SMILES for 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is C=Cc1ccc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1.

What is the InChIKey of 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

The InChIKey is WJRYSRVUPKBGBY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-3-14-7-9-15(10-8-14)19(24)20-16(11-13-25-2)18-22-21-17-6-4-5-12-23(17)18/h3-10,12,16H,1,11,13H2,2H3,(H,20,24)/t16-/m0/s1.

What are the key properties of 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is sourced from PubChem (CID 99783852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).