(2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide

C16H17N5OS2 — CID 7300168

About (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide

(2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide (PubChem CID 7300168) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
• PubChem CID: 7300168
• Molecular Formula: C16H17N5OS2
• Molecular Weight: 359.48 g/mol
• Exact Mass: 359.09
• IUPAC Name: (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
• SMILES: Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2N)cc1
• InChI: InChI=1S/C16H17N5OS2/c1-10-5-7-12(8-6-10)18-15(22)11(2)24-16-20-19-14(21(16)17)13-4-3-9-23-13/h3-9,11H,17H2,1-2H3,(H,18,22)/t11-/m1/s1
• InChIKey: ZPQHRHTVTSVQNO-LLVKDONJSA-N
• XLogP: 3.15
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.48
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?

The IUPAC name of (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide (CID 7300168) is (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide.

What is the SMILES notation for (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?

The canonical SMILES for (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2N)cc1.

What is the InChIKey of (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?

The InChIKey is ZPQHRHTVTSVQNO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-10-5-7-12(8-6-10)18-15(22)11(2)24-16-20-19-14(21(16)17)13-4-3-9-23-13/h3-9,11H,17H2,1-2H3,(H,18,22)/t11-/m1/s1.

What are the key properties of (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?

(2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide has a molecular weight of 359.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 7300168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).