3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid

C12H12FNO3S — CID 24715274

IUPAC3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
SMILESO=C(O)CCN1C(=O)CSC1c1ccccc1F
InChIInChI=1S/C12H12FNO3S/c13-9-4-2-1-3-8(9)12-14(6-5-11(16)17)10(15)7-18-12/h1-4,12H,5-7H2,(H,16,17)
InChIKeyIWXLKUVODWOCII-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.87
Rot. Bonds4

About 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid

3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid (PubChem CID 24715274) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
PubChem CID24715274
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
SMILESO=C(O)CCN1C(=O)CSC1c1ccccc1F
InChIInChI=1S/C12H12FNO3S/c13-9-4-2-1-3-8(9)12-14(6-5-11(16)17)10(15)7-18-12/h1-4,12H,5-7H2,(H,16,17)
InChIKeyIWXLKUVODWOCII-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 54587081
3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476
2-(3-Benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
CID 666564
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
3-Acetyl-2-(3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 3238943
2-(4-Fluorophenyl)-1,3-thiazolidin-4-one
CID 3779101
3-Acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 362549

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
The IUPAC name of 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid (CID 24715274) is 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid is O=C(O)CCN1C(=O)CSC1c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
The InChIKey is IWXLKUVODWOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S/c13-9-4-2-1-3-8(9)12-14(6-5-11(16)17)10(15)7-18-12/h1-4,12H,5-7H2,(H,16,17).
What are the key properties of 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid?
3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid is sourced from PubChem (CID 24715274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).