2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one

C17H16FNO2S — CID 24712239

IUPAC2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(F)c2)N1CC(O)c1ccccc1
InChIInChI=1S/C17H16FNO2S/c18-14-8-4-7-13(9-14)17-19(16(21)11-22-17)10-15(20)12-5-2-1-3-6-12/h1-9,15,17,20H,10-11H2
InChIKeyBGQGBHRLHQGUOI-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one

2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one (PubChem CID 24712239) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
PubChem CID24712239
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(F)c2)N1CC(O)c1ccccc1
InChIInChI=1S/C17H16FNO2S/c18-14-8-4-7-13(9-14)17-19(16(21)11-22-17)10-15(20)12-5-2-1-3-6-12/h1-9,15,17,20H,10-11H2
InChIKeyBGQGBHRLHQGUOI-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide
CID 24205496
N-[2-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide
CID 24205499
2-(2,4-Difluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712238
3-(2-Hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 46137645
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
(5R)-5-[(E,3S)-4-(3-fluorophenyl)-3-hydroxybut-1-enyl]-1-[2-(4-hydroxybutylsulfanyl)ethyl]pyrrolidin-2-one
CID 57893900
(5R)-5-[(E,3S)-4-(3,4-difluorophenyl)-3-hydroxybut-1-enyl]-1-[2-(4-hydroxybutylsulfanyl)ethyl]pyrrolidin-2-one
CID 57893947
(5R)-1-(2-butylsulfanylethyl)-5-[(E,3S)-4-(4-fluorophenyl)-3-hydroxybut-1-enyl]pyrrolidin-2-one
CID 57893959
(5R)-5-[(E,3S)-4-(4-fluorophenyl)-3-hydroxybut-1-enyl]-1-[2-(4-hydroxybutylsulfanyl)ethyl]pyrrolidin-2-one
CID 57894107
N-benzyl-2-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 67352672

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one (CID 24712239) is 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(F)c2)N1CC(O)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one?
The InChIKey is BGQGBHRLHQGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-14-8-4-7-13(9-14)17-19(16(21)11-22-17)10-15(20)12-5-2-1-3-6-12/h1-9,15,17,20H,10-11H2.
What are the key properties of 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one?
2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one has a molecular weight of 317.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24712239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).