2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C15H13F3N2O3S — CID 86863351

IUPAC2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)Nc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C15H13F3N2O3S/c1-8(21)10-4-3-5-11(6-10)23-9(2)13(22)20-14-19-12(7-24-14)15(16,17)18/h3-7,9H,1-2H3,(H,19,20,22)
InChIKeyVCZDHNODKZMCLN-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 86863351) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID86863351
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)Nc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C15H13F3N2O3S/c1-8(21)10-4-3-5-11(6-10)23-9(2)13(22)20-14-19-12(7-24-14)15(16,17)18/h3-7,9H,1-2H3,(H,19,20,22)
InChIKeyVCZDHNODKZMCLN-UHFFFAOYSA-N
XLogP3.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2496684
2-(3-chlorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 18127589
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 8780824

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 86863351) is 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(=O)c1cccc(OC(C)C(=O)Nc2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VCZDHNODKZMCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-8(21)10-4-3-5-11(6-10)23-9(2)13(22)20-14-19-12(7-24-14)15(16,17)18/h3-7,9H,1-2H3,(H,19,20,22).
What are the key properties of 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 358.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 86863351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).