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

C19H16F6N2S — CID 19843533

IUPAC5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine
SMILESCCC1SC(c2ccccc2)N(C(F)(F)F)/C1=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F6N2S/c1-2-15-16(26-14-11-7-6-10-13(14)18(20,21)22)27(19(23,24)25)17(28-15)12-8-4-3-5-9-12/h3-11,15,17H,2H2,1H3/b26-16+
InChIKeyZLHWJXJVHSYJIW-WGOQTCKBSA-N
MW418.41 g/mol
LogP6.78
Rot. Bonds3

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

5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine (PubChem CID 19843533) has the molecular formula C19H16F6N2S and a molecular weight of 418.41 g/mol. Its IUPAC name is 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine.

Molecular Properties

Compound Name5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine
PubChem CID19843533
Molecular FormulaC19H16F6N2S
Molecular Weight418.41 g/mol
Exact Mass418.09
IUPAC Name5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine
SMILESCCC1SC(c2ccccc2)N(C(F)(F)F)/C1=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F6N2S/c1-2-15-16(26-14-11-7-6-10-13(14)18(20,21)22)27(19(23,24)25)17(28-15)12-8-4-3-5-9-12/h3-11,15,17H,2H2,1H3/b26-16+
InChIKeyZLHWJXJVHSYJIW-WGOQTCKBSA-N
XLogP6.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989146
1-isocyanato-2-(trifluoromethyl)benzene
CID 16794
5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989057
1-phenyl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 15195578
N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
CID 2818132
(5E)-5-(1-benzyl-2-oxoindol-3-ylidene)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 136700805
2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanimidamide
CID 15738788
1-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]ethanimine
CID 15121255
methyl N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioate
CID 2804508
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
(2S,3R)-2-ethyl-3-phenylthiirane
CID 134927560
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine?
The IUPAC name of 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine (CID 19843533) is 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine.
What is the SMILES notation for 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine?
The canonical SMILES for 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine is CCC1SC(c2ccccc2)N(C(F)(F)F)/C1=N/c1ccccc1C(F)(F)F.
What is the InChIKey of 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine?
The InChIKey is ZLHWJXJVHSYJIW-WGOQTCKBSA-N. The full InChI is InChI=1S/C19H16F6N2S/c1-2-15-16(26-14-11-7-6-10-13(14)18(20,21)22)27(19(23,24)25)17(28-15)12-8-4-3-5-9-12/h3-11,15,17H,2H2,1H3/b26-16+.
What are the key properties of 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine?
5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine has a molecular weight of 418.41 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenyl-3-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-imine is sourced from PubChem (CID 19843533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).