2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C14H13F3N2O3S — CID 86980074

IUPAC2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C14H13F3N2O3S/c1-2-21-9-3-5-10(6-4-9)22-7-12(20)19-13-18-11(8-23-13)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19,20)
InChIKeyYCOBFOBQJBYKJZ-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86980074) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID86980074
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C14H13F3N2O3S/c1-2-21-9-3-5-10(6-4-9)22-7-12(20)19-13-18-11(8-23-13)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19,20)
InChIKeyYCOBFOBQJBYKJZ-UHFFFAOYSA-N
XLogP3.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863563
2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86871832
2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173197
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46493467
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 42897621
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 30193598
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19175491

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 86980074) is 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccc(OCC(=O)Nc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YCOBFOBQJBYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-2-21-9-3-5-10(6-4-9)22-7-12(20)19-13-18-11(8-23-13)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86980074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).