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

C18H16F3NO2S — CID 46137645

IUPAC3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CC(O)c1ccccc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)17-22(16(24)11-25-17)10-15(23)12-4-2-1-3-5-12/h1-9,15,17,23H,10-11H2
InChIKeyHAUDEQNEOTYDIF-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.01
Rot. Bonds4

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

3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 46137645) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID46137645
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)N1CC(O)c1ccccc1
InChIInChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)17-22(16(24)11-25-17)10-15(23)12-4-2-1-3-5-12/h1-9,15,17,23H,10-11H2
InChIKeyHAUDEQNEOTYDIF-UHFFFAOYSA-N
XLogP4.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Difluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712238
2-(3-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712239
2-(cyclopentylthio)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)acetamide
CID 71806359
2-(Phenylmethoxymethyl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3714690
3-[(3,4-Difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
CID 5016060
3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one
CID 54450857
(5E)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 153382221
3-(2-Hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6612438
Benzyl 2-[hydroxy(phenyl)methyl]-1,3-thiazolidine-3-carboxylate
CID 134865668
2-phenylmethoxy-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 1024081
2-phenylmethoxy-1-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 1024083
3-[2-(4-Hydroxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3680537

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 46137645) is 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)N1CC(O)c1ccccc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is HAUDEQNEOTYDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-18(20,21)14-8-6-13(7-9-14)17-22(16(24)11-25-17)10-15(23)12-4-2-1-3-5-12/h1-9,15,17,23H,10-11H2.
What are the key properties of 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 367.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 46137645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).