2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide

C25H21N5O2S2 — CID 24519226

About 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide

2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 24519226) has the molecular formula C25H21N5O2S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

• Compound Name: 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide
• PubChem CID: 24519226
• Molecular Formula: C25H21N5O2S2
• Molecular Weight: 487.61 g/mol
• Exact Mass: 487.11
• IUPAC Name: 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide
• SMILES: CC(Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)Nc1ccccc1Sc1ccccc1
• InChI: InChI=1S/C25H21N5O2S2/c1-16(22(31)26-19-13-7-9-15-21(19)34-17-10-4-3-5-11-17)33-25-28-27-24-29(2)23(32)18-12-6-8-14-20(18)30(24)25/h3-16H,1-2H3,(H,26,31)
• InChIKey: OWVVUPMWEJRYGU-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.61
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide?

The IUPAC name of 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide (CID 24519226) is 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide.

What is the SMILES notation for 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide?

The canonical SMILES for 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide is CC(Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)Nc1ccccc1Sc1ccccc1.

What is the InChIKey of 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide?

The InChIKey is OWVVUPMWEJRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S2/c1-16(22(31)26-19-13-7-9-15-21(19)34-17-10-4-3-5-11-17)33-25-28-27-24-29(2)23(32)18-12-6-8-14-20(18)30(24)25/h3-16H,1-2H3,(H,26,31).

What are the key properties of 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide?

2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 487.61 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 24519226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).