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

C24H18ClF3N2OS — CID 84564722

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C24H18ClF3N2OS/c1-14-21(13-22(31)30-20-10-9-17(25)12-19(20)24(26,27)28)32-23(29-14)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,30,31)
InChIKeyZRCJRQNGOPHRHD-UHFFFAOYSA-N
MW474.94 g/mol
LogP7.05
Rot. Bonds5

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84564722) has the molecular formula C24H18ClF3N2OS and a molecular weight of 474.94 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID84564722
Molecular FormulaC24H18ClF3N2OS
Molecular Weight474.94 g/mol
Exact Mass474.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C24H18ClF3N2OS/c1-14-21(13-22(31)30-20-10-9-17(25)12-19(20)24(26,27)28)32-23(29-14)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,30,31)
InChIKeyZRCJRQNGOPHRHD-UHFFFAOYSA-N
XLogP7.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.94
LogP ≤ 57.05
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
N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565264
N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565253
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564602
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide
CID 84564711
N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565256
N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565259
N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565325
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide
CID 84565282
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 84565303
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 70850909

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84564722) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is ZRCJRQNGOPHRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2OS/c1-14-21(13-22(31)30-20-10-9-17(25)12-19(20)24(26,27)28)32-23(29-14)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,30,31).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 474.94 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84564722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).