2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide

C11H9FN2O3S — CID 3337423

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1SC(=O)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H9FN2O3S/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-4,8H,5H2,(H,13,15)(H,14,16,17)
InChIKeyYTZRGSGSXCNLEV-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.51
Rot. Bonds3

About 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 3337423) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
PubChem CID3337423
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1SC(=O)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H9FN2O3S/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-4,8H,5H2,(H,13,15)(H,14,16,17)
InChIKeyYTZRGSGSXCNLEV-UHFFFAOYSA-N
XLogP1.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide 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

Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
N-(4-Fluorophenyl)succinimide
CID 670631
3-Phenyl-2,4-thiazolidinedione
CID 221043
2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 135735433
S-(3-anilino-3-oxopropyl) ethanethioate
CID 891011
S-(3-anilino-2-methyl-3-oxopropyl) ethanethioate
CID 2828746
3-[(2-Aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride
CID 17369996
2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 137241419
3-(4-Fluorophenyl)-2,4-thiazolidinedione
CID 320955
2-(2,4-dioxo-3-thiazolidinyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 648553
2-[(cyanomethyl)thio]-N-(4-fluorophenyl)acetamide
CID 2229560
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide (CID 3337423) is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide is O=C(CC1SC(=O)NC1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is YTZRGSGSXCNLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-4,8H,5H2,(H,13,15)(H,14,16,17).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 268.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3337423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).