2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide

C21H16F6N2O2S — CID 16561843

IUPAC2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3OCC(F)(F)F)cs2)c1
InChIInChI=1S/C21H16F6N2O2S/c1-12-3-2-4-13(7-12)19-28-15(10-32-19)9-18(30)29-16-8-14(21(25,26)27)5-6-17(16)31-11-20(22,23)24/h2-8,10H,9,11H2,1H3,(H,29,30)
InChIKeyNSRNAKUGNMTRMR-UHFFFAOYSA-N
MW474.43 g/mol
LogP6.26
Rot. Bonds6

About 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 16561843) has the molecular formula C21H16F6N2O2S and a molecular weight of 474.43 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID16561843
Molecular FormulaC21H16F6N2O2S
Molecular Weight474.43 g/mol
Exact Mass474.08
IUPAC Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3OCC(F)(F)F)cs2)c1
InChIInChI=1S/C21H16F6N2O2S/c1-12-3-2-4-13(7-12)19-28-15(10-32-19)9-18(30)29-16-8-14(21(25,26)27)5-6-17(16)31-11-20(22,23)24/h2-8,10H,9,11H2,1H3,(H,29,30)
InChIKeyNSRNAKUGNMTRMR-UHFFFAOYSA-N
XLogP6.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55507894
N-(2-methoxy-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31759330
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16605105
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
N-(2-fluoro-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31761357
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 31871936
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
methyl 4-methyl-3-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 34143667

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide (CID 16561843) is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide is Cc1cccc(-c2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3OCC(F)(F)F)cs2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NSRNAKUGNMTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2O2S/c1-12-3-2-4-13(7-12)19-28-15(10-32-19)9-18(30)29-16-8-14(21(25,26)27)5-6-17(16)31-11-20(22,23)24/h2-8,10H,9,11H2,1H3,(H,29,30).
What are the key properties of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide?
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 474.43 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16561843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).