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

C20H17F3N2O3S — CID 1143615

IUPAC2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H17F3N2O3S/c1-27-16-7-2-3-8-17(16)28-12-18(26)25-19-24-11-15(29-19)10-13-5-4-6-14(9-13)20(21,22)23/h2-9,11H,10,12H2,1H3,(H,24,25,26)
InChIKeyQRZAYEYUWTVDGP-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.78
Rot. Bonds7

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

2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 1143615) has the molecular formula C20H17F3N2O3S and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID1143615
Molecular FormulaC20H17F3N2O3S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC Name2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H17F3N2O3S/c1-27-16-7-2-3-8-17(16)28-12-18(26)25-19-24-11-15(29-19)10-13-5-4-6-14(9-13)20(21,22)23/h2-9,11H,10,12H2,1H3,(H,24,25,26)
InChIKeyQRZAYEYUWTVDGP-UHFFFAOYSA-N
XLogP4.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2102526
3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)acrylamide
CID 1113594
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-benzyl-thiazol-2-yl)-amide
CID 3158817
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
2-(4-bromophenoxy)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide
CID 1181170
N-[5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 3124798
2-Phenoxy-N-(5-(3-(trifluoromethyl)benzyl)-1,3-thiazol-2-YL)acetamide
CID 1183095
(E)-3-(4-methoxyphenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1113588
2-(4-chlorophenoxy)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide
CID 4418495
N-[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
CID 171345440
N-{5-[(4-Bromophenyl)methyl]-1,3-thiazol-2-YL}-2-(2-methylphenoxy)acetamide
CID 1113615

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 1143615) is 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is COc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QRZAYEYUWTVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3S/c1-27-16-7-2-3-8-17(16)28-12-18(26)25-19-24-11-15(29-19)10-13-5-4-6-14(9-13)20(21,22)23/h2-9,11H,10,12H2,1H3,(H,24,25,26).
What are the key properties of 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 422.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1143615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).