2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C7H6F3NO2S — CID 106782452

IUPAC2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-13-3-4(12)5-2-11-6(14-5)7(8,9)10/h2H,3H2,1H3
InChIKeyBAVPQMJSZBNERF-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.99
Rot. Bonds3

About 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782452) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106782452
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-13-3-4(12)5-2-11-6(14-5)7(8,9)10/h2H,3H2,1H3
InChIKeyBAVPQMJSZBNERF-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782452) is 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is COCC(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is BAVPQMJSZBNERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-13-3-4(12)5-2-11-6(14-5)7(8,9)10/h2H,3H2,1H3.
What are the key properties of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 225.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).