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

C15H15F3N2O2S — CID 78863563

IUPAC3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2nc(C(F)(F)F)cs2)cc1C
InChIInChI=1S/C15H15F3N2O2S/c1-9-3-4-11(7-10(9)2)22-6-5-13(21)20-14-19-12(8-23-14)15(16,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyJGENNIDOCUHFRY-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.19
Rot. Bonds5

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

3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 78863563) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID78863563
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2nc(C(F)(F)F)cs2)cc1C
InChIInChI=1S/C15H15F3N2O2S/c1-9-3-4-11(7-10(9)2)22-6-5-13(21)20-14-19-12(8-23-14)15(16,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyJGENNIDOCUHFRY-UHFFFAOYSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86980074
3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 52583631
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115610256
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181
2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19176250
2-[3-(3,4-dimethylphenoxy)propanoylamino]propanoic acid
CID 43355237
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
4-(4-chloro-3-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19191298

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 78863563) is 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(OCCC(=O)Nc2nc(C(F)(F)F)cs2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is JGENNIDOCUHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-9-3-4-11(7-10(9)2)22-6-5-13(21)20-14-19-12(8-23-14)15(16,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 344.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78863563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).