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

C20H28N4OS2 — CID 112822019

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

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 112822019) has the molecular formula C20H28N4OS2 and a molecular weight of 404.61 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 112822019
• Molecular Formula: C20H28N4OS2
• Molecular Weight: 404.61 g/mol
• Exact Mass: 404.17
• IUPAC Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: CC1CCN(C(CNC(=O)C2CCCN2c2nccs2)c2cccs2)CC1
• InChI: InChI=1S/C20H28N4OS2/c1-15-6-10-23(11-7-15)17(18-5-3-12-26-18)14-22-19(25)16-4-2-9-24(16)20-21-8-13-27-20/h3,5,8,12-13,15-17H,2,4,6-7,9-11,14H2,1H3,(H,22,25)
• InChIKey: FVRGOJTUXXFCMV-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.61
LogP ≤ 5	3.76
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]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 112822019) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CC1CCN(C(CNC(=O)C2CCCN2c2nccs2)c2cccs2)CC1.

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

The InChIKey is FVRGOJTUXXFCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS2/c1-15-6-10-23(11-7-15)17(18-5-3-12-26-18)14-22-19(25)16-4-2-9-24(16)20-21-8-13-27-20/h3,5,8,12-13,15-17H,2,4,6-7,9-11,14H2,1H3,(H,22,25).

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

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 404.61 g/mol, XLogP of 3.76, 6 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]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112822019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).