4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine

C12H15FN2S — CID 135934664

IUPAC4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/Cc2cccc(F)c2)N1
InChIInChI=1S/C12H15FN2S/c1-2-11-8-16-12(15-11)14-7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyQTQNGRVOLQWWCP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.80
Rot. Bonds3

About 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine

4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 135934664) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine
PubChem CID135934664
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/Cc2cccc(F)c2)N1
InChIInChI=1S/C12H15FN2S/c1-2-11-8-16-12(15-11)14-7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8H2,1H3,(H,14,15)
InChIKeyQTQNGRVOLQWWCP-UHFFFAOYSA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.80
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 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine (CID 135934664) is 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine is CCC1CS/C(=N/Cc2cccc(F)c2)N1.
What is the InChIKey of 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is QTQNGRVOLQWWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-2-11-8-16-12(15-11)14-7-9-4-3-5-10(13)6-9/h3-6,11H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine?
4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 238.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).