2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H26N6OS2 — CID 6489388

About 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6489388) has the molecular formula C17H26N6OS2 and a molecular weight of 394.57 g/mol. Its IUPAC name is 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 6489388
• Molecular Formula: C17H26N6OS2
• Molecular Weight: 394.57 g/mol
• Exact Mass: 394.16
• IUPAC Name: 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CCSc1nnc(C2CCCN(CC(=O)Nc3nccs3)C2)n1C(C)C
• InChI: InChI=1S/C17H26N6OS2/c1-4-25-17-21-20-15(23(17)12(2)3)13-6-5-8-22(10-13)11-14(24)19-16-18-7-9-26-16/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,18,19,24)
• InChIKey: OPJXOXPBKKZWOG-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.57
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 6489388) is 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CCSc1nnc(C2CCCN(CC(=O)Nc3nccs3)C2)n1C(C)C.

What is the InChIKey of 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is OPJXOXPBKKZWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS2/c1-4-25-17-21-20-15(23(17)12(2)3)13-6-5-8-22(10-13)11-14(24)19-16-18-7-9-26-16/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,18,19,24).

What are the key properties of 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 394.57 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6489388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).