N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide

C22H21N5O2S — CID 24601210

About N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide

N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide (PubChem CID 24601210) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
• PubChem CID: 24601210
• Molecular Formula: C22H21N5O2S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.14
• IUPAC Name: N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
• SMILES: CC(=O)NC(C)c1ccc(C(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1
• InChI: InChI=1S/C22H21N5O2S/c1-13(23-15(3)28)16-8-10-17(11-9-16)20(29)12-30-22-25-19-7-5-4-6-18(19)21-24-14(2)26-27(21)22/h4-11,13H,12H2,1-3H3,(H,23,28)
• InChIKey: BVXGZWHJPDUULW-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide (CID 24601210) is N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide.

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

The canonical SMILES for N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(C(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1.

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

The InChIKey is BVXGZWHJPDUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-13(23-15(3)28)16-8-10-17(11-9-16)20(29)12-30-22-25-19-7-5-4-6-18(19)21-24-14(2)26-27(21)22/h4-11,13H,12H2,1-3H3,(H,23,28).

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

N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 24601210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).