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

C24H19F3N2OS — CID 84565267

IUPAC2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N2OS/c1-15-21(14-22(30)29-20-12-5-4-11-19(20)24(25,26)27)31-23(28-15)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3,(H,29,30)
InChIKeyYOZZPIJKSRZWHM-UHFFFAOYSA-N
MW440.49 g/mol
LogP6.40
Rot. Bonds5

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

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 84565267) has the molecular formula C24H19F3N2OS and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID84565267
Molecular FormulaC24H19F3N2OS
Molecular Weight440.49 g/mol
Exact Mass440.12
IUPAC Name2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H19F3N2OS/c1-15-21(14-22(30)29-20-12-5-4-11-19(20)24(25,26)27)31-23(28-15)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3,(H,29,30)
InChIKeyYOZZPIJKSRZWHM-UHFFFAOYSA-N
XLogP6.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564722
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide
CID 84564711
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564602
N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565325
N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565253
N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565270
N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565264
N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565259
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
5-chloro-2-methoxy-4-[[2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetyl]amino]benzoic acid
CID 84565254
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82425639
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 84565267) is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YOZZPIJKSRZWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2OS/c1-15-21(14-22(30)29-20-12-5-4-11-19(20)24(25,26)27)31-23(28-15)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3,(H,29,30).
What are the key properties of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.49 g/mol, XLogP of 6.40, 5 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-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 84565267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).