3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C12H12F3NO2S — CID 3693294

IUPAC3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCO
InChIInChI=1S/C12H12F3NO2S/c13-12(14,15)9-3-1-8(2-4-9)11-16(5-6-17)10(18)7-19-11/h1-4,11,17H,5-7H2
InChIKeyIVKJBZHJEOQQSL-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.27
Rot. Bonds3

About 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3693294) has the molecular formula C12H12F3NO2S and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID3693294
Molecular FormulaC12H12F3NO2S
Molecular Weight291.29 g/mol
Exact Mass291.05
IUPAC Name3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCO
InChIInChI=1S/C12H12F3NO2S/c13-12(14,15)9-3-1-8(2-4-9)11-16(5-6-17)10(18)7-19-11/h1-4,11,17H,5-7H2
InChIKeyIVKJBZHJEOQQSL-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 3693294) is 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is IVKJBZHJEOQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2S/c13-12(14,15)9-3-1-8(2-4-9)11-16(5-6-17)10(18)7-19-11/h1-4,11,17H,5-7H2.
What are the key properties of 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 291.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3693294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).