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

C22H18F3N5O2S — CID 16598947

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cs1
InChIInChI=1S/C22H18F3N5O2S/c1-2-32-19-6-4-3-5-16(19)21-28-15(11-33-21)10-20(31)29-17-9-14(22(23,24)25)7-8-18(17)30-13-26-12-27-30/h3-9,11-13H,2,10H2,1H3,(H,29,31)
InChIKeyMLAJEFXZHXPHAN-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.99
Rot. Bonds7

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

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 16598947) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID16598947
Molecular FormulaC22H18F3N5O2S
Molecular Weight473.48 g/mol
Exact Mass473.11
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cs1
InChIInChI=1S/C22H18F3N5O2S/c1-2-32-19-6-4-3-5-16(19)21-28-15(11-33-21)10-20(31)29-17-9-14(22(23,24)25)7-8-18(17)30-13-26-12-27-30/h3-9,11-13H,2,10H2,1H3,(H,29,31)
InChIKeyMLAJEFXZHXPHAN-UHFFFAOYSA-N
XLogP4.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-propoxyphenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16549157
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16597485
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 34673257
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide
CID 27221691
2-(1-formylnaphthalen-2-yl)oxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 52888394
3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732560
N-methyl-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8772270
N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18139498
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 16598947) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MLAJEFXZHXPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c1-2-32-19-6-4-3-5-16(19)21-28-15(11-33-21)10-20(31)29-17-9-14(22(23,24)25)7-8-18(17)30-13-26-12-27-30/h3-9,11-13H,2,10H2,1H3,(H,29,31).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 473.48 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16598947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).