4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C20H17F3N2O2S — CID 46741096

About 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 46741096) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 46741096
• Molecular Formula: C20H17F3N2O2S
• Molecular Weight: 406.43 g/mol
• Exact Mass: 406.10
• IUPAC Name: 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(OCc2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)s2)c1
• InChI: InChI=1S/C20H17F3N2O2S/c1-12-5-3-8-16(9-12)27-11-17-24-13(2)18(28-17)19(26)25-15-7-4-6-14(10-15)20(21,22)23/h3-10H,11H2,1-2H3,(H,25,26)
• InChIKey: JCDQZKIZOZTEPK-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.43
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 46741096) is 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1cccc(OCc2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)s2)c1.

What is the InChIKey of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The InChIKey is JCDQZKIZOZTEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-12-5-3-8-16(9-12)27-11-17-24-13(2)18(28-17)19(26)25-15-7-4-6-14(10-15)20(21,22)23/h3-10H,11H2,1-2H3,(H,25,26).

What are the key properties of 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46741096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).