5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

C19H16F6N2OS — CID 15679924

IUPAC5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C19H16F6N2OS/c1-2-16-11-27(14-5-3-4-12(10-14)18(20,21)22)17(29-16)26-13-6-8-15(9-7-13)28-19(23,24)25/h3-10,16H,2,11H2,1H3/b26-17-
InChIKeyVGYCWIAIQVIKEW-ONUIUJJFSA-N
MW434.41 g/mol
LogP6.62
Rot. Bonds4

About 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 15679924) has the molecular formula C19H16F6N2OS and a molecular weight of 434.41 g/mol. Its IUPAC name is 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID15679924
Molecular FormulaC19H16F6N2OS
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC Name5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C19H16F6N2OS/c1-2-16-11-27(14-5-3-4-12(10-14)18(20,21)22)17(29-16)26-13-6-8-15(9-7-13)28-19(23,24)25/h3-10,16H,2,11H2,1H3/b26-17-
InChIKeyVGYCWIAIQVIKEW-ONUIUJJFSA-N
XLogP6.62
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 15679924) is 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(OC(F)(F)F)cc2)S1.
What is the InChIKey of 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is VGYCWIAIQVIKEW-ONUIUJJFSA-N. The full InChI is InChI=1S/C19H16F6N2OS/c1-2-16-11-27(14-5-3-4-12(10-14)18(20,21)22)17(29-16)26-13-6-8-15(9-7-13)28-19(23,24)25/h3-10,16H,2,11H2,1H3/b26-17-.
What are the key properties of 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 434.41 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 15679924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).