N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C24H24F3N3OS — CID 46514403

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 46514403) has the molecular formula C24H24F3N3OS and a molecular weight of 459.54 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
• PubChem CID: 46514403
• Molecular Formula: C24H24F3N3OS
• Molecular Weight: 459.54 g/mol
• Exact Mass: 459.16
• IUPAC Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
• SMILES: O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC(c1ccccc1)N1CCCC1
• InChI: InChI=1S/C24H24F3N3OS/c25-24(26,27)19-10-8-18(9-11-19)23-29-20(16-32-23)14-22(31)28-15-21(30-12-4-5-13-30)17-6-2-1-3-7-17/h1-3,6-11,16,21H,4-5,12-15H2,(H,28,31)
• InChIKey: UKAUBSUAZGXINS-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.54
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 46514403) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC(c1ccccc1)N1CCCC1.

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

The InChIKey is UKAUBSUAZGXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3OS/c25-24(26,27)19-10-8-18(9-11-19)23-29-20(16-32-23)14-22(31)28-15-21(30-12-4-5-13-30)17-6-2-1-3-7-17/h1-3,6-11,16,21H,4-5,12-15H2,(H,28,31).

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

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 459.54 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46514403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).