3-(2-fluoroethyl)-1,3-thiazolidin-2-imine

C5H9FN2S — CID 45088199

IUPAC3-(2-fluoroethyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCF
InChIInChI=1S/C5H9FN2S/c6-1-2-8-3-4-9-5(8)7/h7H,1-4H2/b7-5-
InChIKeyFGWLKNSZLLDOQP-ALCCZGGFSA-N
MW148.21 g/mol
LogP0.94
Rot. Bonds2

About 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine

3-(2-fluoroethyl)-1,3-thiazolidin-2-imine (PubChem CID 45088199) has the molecular formula C5H9FN2S and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-(2-fluoroethyl)-1,3-thiazolidin-2-imine
PubChem CID45088199
Molecular FormulaC5H9FN2S
Molecular Weight148.21 g/mol
Exact Mass148.05
IUPAC Name3-(2-fluoroethyl)-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCF
InChIInChI=1S/C5H9FN2S/c6-1-2-8-3-4-9-5(8)7/h7H,1-4H2/b7-5-
InChIKeyFGWLKNSZLLDOQP-ALCCZGGFSA-N
XLogP0.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine (CID 45088199) is 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine?
The InChIKey is FGWLKNSZLLDOQP-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H9FN2S/c6-1-2-8-3-4-9-5(8)7/h7H,1-4H2/b7-5-.
What are the key properties of 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine?
3-(2-fluoroethyl)-1,3-thiazolidin-2-imine has a molecular weight of 148.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 45088199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).