1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

C12H8F3NOS — CID 2744883

IUPAC1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H8F3NOS/c1-7(17)10-6-18-11(16-10)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H3
InChIKeyDOKBWWZTDKYSBF-UHFFFAOYSA-N
MW271.26 g/mol
LogP4.03
Rot. Bonds2

About 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 2744883) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
PubChem CID2744883
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H8F3NOS/c1-7(17)10-6-18-11(16-10)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H3
InChIKeyDOKBWWZTDKYSBF-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-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 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (CID 2744883) is 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is DOKBWWZTDKYSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c1-7(17)10-6-18-11(16-10)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H3.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 271.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 2744883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).