3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C13H14F3NO2S — CID 24712048

IUPAC3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccc(C(F)(F)F)c2)N(CCO)C1=O
InChIInChI=1S/C13H14F3NO2S/c1-8-11(19)17(5-6-18)12(20-8)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8,12,18H,5-6H2,1H3
InChIKeyXSPKFCNKPHXOKC-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.66
Rot. Bonds3

About 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 24712048) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID24712048
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccc(C(F)(F)F)c2)N(CCO)C1=O
InChIInChI=1S/C13H14F3NO2S/c1-8-11(19)17(5-6-18)12(20-8)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8,12,18H,5-6H2,1H3
InChIKeyXSPKFCNKPHXOKC-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 24712048) is 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is CC1SC(c2cccc(C(F)(F)F)c2)N(CCO)C1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is XSPKFCNKPHXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2S/c1-8-11(19)17(5-6-18)12(20-8)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8,12,18H,5-6H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 305.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 24712048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).