3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

C12H12F3NO2S — CID 3304214

IUPAC3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2S/c1-2-16-10(17)7-19-11(16)8-4-3-5-9(6-8)18-12(13,14)15/h3-6,11H,2,7H2,1H3
InChIKeySLYBHHKGNMFPDF-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.18
Rot. Bonds3

About 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3304214) has the molecular formula C12H12F3NO2S and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3304214
Molecular FormulaC12H12F3NO2S
Molecular Weight291.29 g/mol
Exact Mass291.05
IUPAC Name3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2S/c1-2-16-10(17)7-19-11(16)8-4-3-5-9(6-8)18-12(13,14)15/h3-6,11H,2,7H2,1H3
InChIKeySLYBHHKGNMFPDF-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 3304214) is 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is CCN1C(=O)CSC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is SLYBHHKGNMFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2S/c1-2-16-10(17)7-19-11(16)8-4-3-5-9(6-8)18-12(13,14)15/h3-6,11H,2,7H2,1H3.
What are the key properties of 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 291.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3304214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).