N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

C18H23N5OS — CID 87019247

About N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 87019247) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
• PubChem CID: 87019247
• Molecular Formula: C18H23N5OS
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.16
• IUPAC Name: N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
• SMILES: Cc1nc2c3ccccc3nc(SCC(=O)NCCC(C)(C)C)n2n1
• InChI: InChI=1S/C18H23N5OS/c1-12-20-16-13-7-5-6-8-14(13)21-17(23(16)22-12)25-11-15(24)19-10-9-18(2,3)4/h5-8H,9-11H2,1-4H3,(H,19,24)
• InChIKey: SNNVFOZPALNIEA-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?

The IUPAC name of N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (CID 87019247) is N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?

The canonical SMILES for N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is Cc1nc2c3ccccc3nc(SCC(=O)NCCC(C)(C)C)n2n1.

What is the InChIKey of N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?

The InChIKey is SNNVFOZPALNIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-12-20-16-13-7-5-6-8-14(13)21-17(23(16)22-12)25-11-15(24)19-10-9-18(2,3)4/h5-8H,9-11H2,1-4H3,(H,19,24).

What are the key properties of N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?

N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 87019247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).