2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid

C12H12FNO3S — CID 24715625

IUPAC2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid
SMILESCC1SC(c2ccccc2F)N(CC(=O)O)C1=O
InChIInChI=1S/C12H12FNO3S/c1-7-11(17)14(6-10(15)16)12(18-7)8-4-2-3-5-9(8)13/h2-5,7,12H,6H2,1H3,(H,15,16)
InChIKeyRAWMPELJTSDKND-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid

2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 24715625) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid
PubChem CID24715625
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid
SMILESCC1SC(c2ccccc2F)N(CC(=O)O)C1=O
InChIInChI=1S/C12H12FNO3S/c1-7-11(17)14(6-10(15)16)12(18-7)8-4-2-3-5-9(8)13/h2-5,7,12H,6H2,1H3,(H,15,16)
InChIKeyRAWMPELJTSDKND-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenylthiazolidine-4-carboxylic acid
CID 39237
5,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 41947
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827731
7a-(4-Fluorophenyl)-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 3681998
[Benzyl-(3-mercapto-propionyl)-amino]-acetic acid
CID 20532761
(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 54587081
2-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 496375
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
CID 66554423
CID 66554423
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid (CID 24715625) is 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid is CC1SC(c2ccccc2F)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is RAWMPELJTSDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-7-11(17)14(6-10(15)16)12(18-7)8-4-2-3-5-9(8)13/h2-5,7,12H,6H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid?
2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 24715625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).