N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide

C20H18FN5OS — CID 3502941

About N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide

N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide (PubChem CID 3502941) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
• PubChem CID: 3502941
• Molecular Formula: C20H18FN5OS
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.12
• IUPAC Name: N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
• SMILES: CCC(Sc1nc2ccccc2c2nc(C)nn12)C(=O)Nc1ccccc1F
• InChI: InChI=1S/C20H18FN5OS/c1-3-17(19(27)23-16-11-7-5-9-14(16)21)28-20-24-15-10-6-4-8-13(15)18-22-12(2)25-26(18)20/h4-11,17H,3H2,1-2H3,(H,23,27)
• InChIKey: GDUDIUDMSMAEQE-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide?

The IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide (CID 3502941) is N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide is CCC(Sc1nc2ccccc2c2nc(C)nn12)C(=O)Nc1ccccc1F.

What is the InChIKey of N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide?

The InChIKey is GDUDIUDMSMAEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-3-17(19(27)23-16-11-7-5-9-14(16)21)28-20-24-15-10-6-4-8-13(15)18-22-12(2)25-26(18)20/h4-11,17H,3H2,1-2H3,(H,23,27).

What are the key properties of N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide?

N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide has a molecular weight of 395.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide is sourced from PubChem (CID 3502941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).