2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C25H21F3N2OS — CID 84565129

IUPAC2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N2OS/c1-16-22(14-23(31)29-15-17-6-4-10-20(12-17)25(26,27)28)32-24(30-16)13-19-9-5-8-18-7-2-3-11-21(18)19/h2-12H,13-15H2,1H3,(H,29,31)
InChIKeyMHYXOEVIRZJCIC-UHFFFAOYSA-N
MW454.52 g/mol
LogP6.07
Rot. Bonds6

About 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 84565129) has the molecular formula C25H21F3N2OS and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID84565129
Molecular FormulaC25H21F3N2OS
Molecular Weight454.52 g/mol
Exact Mass454.13
IUPAC Name2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N2OS/c1-16-22(14-23(31)29-15-17-6-4-10-20(12-17)25(26,27)28)32-24(30-16)13-19-9-5-8-18-7-2-3-11-21(18)19/h2-12H,13-15H2,1H3,(H,29,31)
InChIKeyMHYXOEVIRZJCIC-UHFFFAOYSA-N
XLogP6.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 84565267
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564602
N-(2-acetamidoethyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564614
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564722
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565256
N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565270
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565253
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 84565303
N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 135159119

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 84565129) is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is MHYXOEVIRZJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2OS/c1-16-22(14-23(31)29-15-17-6-4-10-20(12-17)25(26,27)28)32-24(30-16)13-19-9-5-8-18-7-2-3-11-21(18)19/h2-12H,13-15H2,1H3,(H,29,31).
What are the key properties of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 454.52 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 84565129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).