3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione

C5H6FNO2S — CID 126990912

IUPAC3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCF
InChIInChI=1S/C5H6FNO2S/c6-1-2-7-4(8)3-10-5(7)9/h1-3H2
InChIKeyWHLIGFMVUPLZLM-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.65
Rot. Bonds2

About 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione

3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126990912) has the molecular formula C5H6FNO2S and a molecular weight of 163.17 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
PubChem CID126990912
Molecular FormulaC5H6FNO2S
Molecular Weight163.17 g/mol
Exact Mass163.01
IUPAC Name3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCF
InChIInChI=1S/C5H6FNO2S/c6-1-2-7-4(8)3-10-5(7)9/h1-3H2
InChIKeyWHLIGFMVUPLZLM-UHFFFAOYSA-N
XLogP0.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1,3-thiazolidine-2,4-dione
CID 1282062
3-(2-Bromoethyl)thiazolidine-2,4-dione
CID 16392506
3-Ethyl-2,4-thiazolidinedione
CID 5168051
3-(2,2,2-Trifluoroethyl)-1,3-thiazolidin-4-one
CID 158035557
3-(2,2,2-Trifluoroethyl)-1,3-thiazolidine-2,4-dione
CID 130667364
1-(Thiazolidin-3-yl)ethanone
CID 83868
2-Thiazolidinone, 3-acetyl-
CID 3539492
3-Propyl-1,3-thiazolidine-2,4-dione
CID 12572929
3-(Prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
CID 19712409
3-Ethyl-1,3-thiazolidin-4-one
CID 21516725
3-Ethyl-5-sulfanyl-1,3-thiazolidine-2,4-dione
CID 57436919
(2,4-Dioxo-thiazolidin-3-yl)-acetonitrile
CID 87277907

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione (CID 126990912) is 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is WHLIGFMVUPLZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2S/c6-1-2-7-4(8)3-10-5(7)9/h1-3H2.
What are the key properties of 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione?
3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 163.17 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126990912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).