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

C21H19F3N2OS — CID 7287530

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

2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 7287530) has the molecular formula C21H19F3N2OS and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
• PubChem CID: 7287530
• Molecular Formula: C21H19F3N2OS
• Molecular Weight: 404.46 g/mol
• Exact Mass: 404.12
• IUPAC Name: 2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
• SMILES: Cc1cccc(CC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
• InChI: InChI=1S/C21H19F3N2OS/c1-14-3-2-4-15(11-14)12-19(27)25-10-9-18-13-28-20(26-18)16-5-7-17(8-6-16)21(22,23)24/h2-8,11,13H,9-10,12H2,1H3,(H,25,27)
• InChIKey: RJLOQNKXEONVBT-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.46
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 7287530) is 2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide is Cc1cccc(CC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1.

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

The InChIKey is RJLOQNKXEONVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2OS/c1-14-3-2-4-15(11-14)12-19(27)25-10-9-18-13-28-20(26-18)16-5-7-17(8-6-16)21(22,23)24/h2-8,11,13H,9-10,12H2,1H3,(H,25,27).

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

2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 404.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 7287530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).