2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one

C12H14FNO2S — CID 24712234

IUPAC2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCC(O)CN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c1-8(15)6-14-11(16)7-17-12(14)9-2-4-10(13)5-3-9/h2-5,8,12,15H,6-7H2,1H3
InChIKeyOLPXLSZEHVGDEA-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.78
Rot. Bonds3

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

2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one (PubChem CID 24712234) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
PubChem CID24712234
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCC(O)CN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c1-8(15)6-14-11(16)7-17-12(14)9-2-4-10(13)5-3-9/h2-5,8,12,15H,6-7H2,1H3
InChIKeyOLPXLSZEHVGDEA-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881
tert-Butyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazolidine-3-carboxylate
CID 3064945
2-(4-Fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
CID 23775657
3-Acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 362549
2,4-Thiazolidinedione, 3-[(4-fluorophenyl)methyl]-
CID 2291588
3-(2-Fluorobenzyl)-1,3-thiazolidine-2,4-dione
CID 3157072
3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 5346645
2-(4-Oxo-2-phenyl-thiazolidin-3-yl)acetic acid
CID 10847476
3-Acetyl-2-phenyl-4-thiazolidinecarboxylic acid
CID 601520
1-(2-Phenyl-1,3-thiazolidin-3-yl)ethan-1-one
CID 3050895

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one (CID 24712234) is 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one is CC(O)CN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is OLPXLSZEHVGDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c1-8(15)6-14-11(16)7-17-12(14)9-2-4-10(13)5-3-9/h2-5,8,12,15H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 255.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24712234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).