3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione

C8H11FN2O2S — CID 87277777

IUPAC3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCNCC1F
InChIInChI=1S/C8H11FN2O2S/c9-5-3-10-2-1-6(5)11-7(12)4-14-8(11)13/h5-6,10H,1-4H2
InChIKeyCEBJKYGYELUJGA-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.38
Rot. Bonds1

About 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione

3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 87277777) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione
PubChem CID87277777
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCNCC1F
InChIInChI=1S/C8H11FN2O2S/c9-5-3-10-2-1-6(5)11-7(12)4-14-8(11)13/h5-6,10H,1-4H2
InChIKeyCEBJKYGYELUJGA-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione 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

2,4-Thiazolidinedione, compd. with piperidine (1:1)
CID 3057285
3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 87277778
3-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 87278539
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 45796543
3-(3-Fluoro-1-phosphanylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
CID 58530934
3-[(3S,4S)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 87277776
3-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 87278537
3-(3-Fluoro-1-methylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
CID 87278538
3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 144287086
3-[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 144287322
1-(4-Aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 119373587
N-piperidin-4-yl-2-(trifluoromethylsulfanyl)acetamide
CID 119386648

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione (CID 87277777) is 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1C1CCNCC1F.
What is the InChIKey of 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is CEBJKYGYELUJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c9-5-3-10-2-1-6(5)11-7(12)4-14-8(11)13/h5-6,10H,1-4H2.
What are the key properties of 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione?
3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 218.25 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropiperidin-4-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87277777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).