N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C21H25N3OS3 — CID 17496137

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 17496137) has the molecular formula C21H25N3OS3 and a molecular weight of 431.65 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 17496137
• Molecular Formula: C21H25N3OS3
• Molecular Weight: 431.65 g/mol
• Exact Mass: 431.12
• IUPAC Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• SMILES: CC1CCN(C(CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1
• InChI: InChI=1S/C21H25N3OS3/c1-15-6-8-24(9-7-15)17(18-4-2-10-26-18)13-22-20(25)12-16-14-28-21(23-16)19-5-3-11-27-19/h2-5,10-11,14-15,17H,6-9,12-13H2,1H3,(H,22,25)
• InChIKey: LVAGBMCGEBKSKG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.65
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 17496137) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CC1CCN(C(CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1.

What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

The InChIKey is LVAGBMCGEBKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS3/c1-15-6-8-24(9-7-15)17(18-4-2-10-26-18)13-22-20(25)12-16-14-28-21(23-16)19-5-3-11-27-19/h2-5,10-11,14-15,17H,6-9,12-13H2,1H3,(H,22,25).

What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 431.65 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 17496137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).