2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one

C12H14FNO2S — CID 24712050

IUPAC2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccc(F)c2)N(CCO)C1=O
InChIInChI=1S/C12H14FNO2S/c1-8-11(16)14(5-6-15)12(17-8)9-3-2-4-10(13)7-9/h2-4,7-8,12,15H,5-6H2,1H3
InChIKeyMVXLZTVUMKXRRU-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.78
Rot. Bonds3

About 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one

2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 24712050) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID24712050
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccc(F)c2)N(CCO)C1=O
InChIInChI=1S/C12H14FNO2S/c1-8-11(16)14(5-6-15)12(17-8)9-3-2-4-10(13)7-9/h2-4,7-8,12,15H,5-6H2,1H3
InChIKeyMVXLZTVUMKXRRU-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

2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476
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
2-(4-Fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 4794426
2-(4-Fluorophenyl)-3-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 22332063
2-(2-Fluorophenyl)-3-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 22332064
3-Acetyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2731623
3-Acetyl-2-(3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 3238943

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one (CID 24712050) is 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one is CC1SC(c2cccc(F)c2)N(CCO)C1=O.
What is the InChIKey of 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is MVXLZTVUMKXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c1-8-11(16)14(5-6-15)12(17-8)9-3-2-4-10(13)7-9/h2-4,7-8,12,15H,5-6H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
2-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-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-(3-fluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 24712050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).