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

C14H13F3N2O2S — CID 86871832

IUPAC2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COCCc1ccccc1)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)11-9-22-13(18-11)19-12(20)8-21-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,18,19,20)
InChIKeyRPDBFLFRQGJERV-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.36
Rot. Bonds6

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

2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86871832) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID86871832
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COCCc1ccccc1)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)11-9-22-13(18-11)19-12(20)8-21-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,18,19,20)
InChIKeyRPDBFLFRQGJERV-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide
CID 86871760
2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86980074
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863556
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998010
3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863563
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 86871832) is 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is O=C(COCCc1ccccc1)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RPDBFLFRQGJERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)11-9-22-13(18-11)19-12(20)8-21-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,18,19,20).
What are the key properties of 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86871832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).