5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

C18H17F3N2S — CID 15679903

IUPAC5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C18H17F3N2S/c1-2-16-12-23(15-10-6-7-13(11-15)18(19,20)21)17(24-16)22-14-8-4-3-5-9-14/h3-11,16H,2,12H2,1H3/b22-17-
InChIKeyHHKHOPFBGVBDLJ-XLNRJJMWSA-N
MW350.41 g/mol
LogP5.72
Rot. Bonds3

About 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 15679903) has the molecular formula C18H17F3N2S and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID15679903
Molecular FormulaC18H17F3N2S
Molecular Weight350.41 g/mol
Exact Mass350.11
IUPAC Name5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C18H17F3N2S/c1-2-16-12-23(15-10-6-7-13(11-15)18(19,20)21)17(24-16)22-14-8-4-3-5-9-14/h3-11,16H,2,12H2,1H3/b22-17-
InChIKeyHHKHOPFBGVBDLJ-XLNRJJMWSA-N
XLogP5.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.72
H-Bond Donors ≤ 50
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 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 15679903) is 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2)S1.
What is the InChIKey of 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is HHKHOPFBGVBDLJ-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H17F3N2S/c1-2-16-12-23(15-10-6-7-13(11-15)18(19,20)21)17(24-16)22-14-8-4-3-5-9-14/h3-11,16H,2,12H2,1H3/b22-17-.
What are the key properties of 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 350.41 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 15679903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).