2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

C11H14F3NO2S — CID 106782643

IUPAC2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCCCC(OCC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-3-5-7(17-4-2)9(16)8-6-15-10(18-8)11(12,13)14/h6-7H,3-5H2,1-2H3
InChIKeyJDLFQOPCCAGALK-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.55
Rot. Bonds6

About 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (PubChem CID 106782643) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
PubChem CID106782643
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCCCC(OCC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-3-5-7(17-4-2)9(16)8-6-15-10(18-8)11(12,13)14/h6-7H,3-5H2,1-2H3
InChIKeyJDLFQOPCCAGALK-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
Methyl 2,4-dioxo-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoate
CID 135316811
1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
2-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782429
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782438
3-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782450
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782452
4-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106782453
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
4-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782506

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (CID 106782643) is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.
What is the SMILES notation for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The canonical SMILES for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is CCCC(OCC)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The InChIKey is JDLFQOPCCAGALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-3-5-7(17-4-2)9(16)8-6-15-10(18-8)11(12,13)14/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one has a molecular weight of 281.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is sourced from PubChem (CID 106782643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).