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

C12H13F2NO2S — CID 24711933

IUPAC2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2F)N(CCO)C1=O
InChIInChI=1S/C12H13F2NO2S/c1-7-11(17)15(4-5-16)12(18-7)9-3-2-8(13)6-10(9)14/h2-3,6-7,12,16H,4-5H2,1H3
InChIKeyRMTZBVSNRHWOCS-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.92
Rot. Bonds3

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

2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 24711933) has the molecular formula C12H13F2NO2S and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID24711933
Molecular FormulaC12H13F2NO2S
Molecular Weight273.30 g/mol
Exact Mass273.06
IUPAC Name2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2F)N(CCO)C1=O
InChIInChI=1S/C12H13F2NO2S/c1-7-11(17)15(4-5-16)12(18-7)9-3-2-8(13)6-10(9)14/h2-3,6-7,12,16H,4-5H2,1H3
InChIKeyRMTZBVSNRHWOCS-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.92
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
2-(4-Fluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 4794426
3-Acetyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2731623
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-Fluorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 580247
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one (CID 24711933) is 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one is CC1SC(c2ccc(F)cc2F)N(CCO)C1=O.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is RMTZBVSNRHWOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2S/c1-7-11(17)15(4-5-16)12(18-7)9-3-2-8(13)6-10(9)14/h2-3,6-7,12,16H,4-5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 273.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(2-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 24711933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).