[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate

C12H10F3NO3S — CID 154239323

IUPAC[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
SMILESCC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10F3NO3S/c1-7(17)19-11-10(18)16(6-20-11)9-4-2-3-8(5-9)12(13,14)15/h2-5,11H,6H2,1H3
InChIKeyCGDYKIGEQAGASI-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.63
Rot. Bonds2

About [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate

[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate (PubChem CID 154239323) has the molecular formula C12H10F3NO3S and a molecular weight of 305.28 g/mol. Its IUPAC name is [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate.

Molecular Properties

Compound Name[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
PubChem CID154239323
Molecular FormulaC12H10F3NO3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC Name[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
SMILESCC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H10F3NO3S/c1-7(17)19-11-10(18)16(6-20-11)9-4-2-3-8(5-9)12(13,14)15/h2-5,11H,6H2,1H3
InChIKeyCGDYKIGEQAGASI-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate 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 [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
The IUPAC name of [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate (CID 154239323) is [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate.
What is the SMILES notation for [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
The canonical SMILES for [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate is CC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
The InChIKey is CGDYKIGEQAGASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S/c1-7(17)19-11-10(18)16(6-20-11)9-4-2-3-8(5-9)12(13,14)15/h2-5,11H,6H2,1H3.
What are the key properties of [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate?
[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate has a molecular weight of 305.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate is sourced from PubChem (CID 154239323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).