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

C19H16F6N2S — CID 15679904

IUPAC5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C19H16F6N2S/c1-2-16-11-27(15-8-4-6-13(10-15)19(23,24)25)17(28-16)26-14-7-3-5-12(9-14)18(20,21)22/h3-10,16H,2,11H2,1H3/b26-17-
InChIKeyTTYKQSAOKXYLSD-ONUIUJJFSA-N
MW418.41 g/mol
LogP6.74
Rot. Bonds3

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

5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 15679904) has the molecular formula C19H16F6N2S and a molecular weight of 418.41 g/mol. Its IUPAC name is 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID15679904
Molecular FormulaC19H16F6N2S
Molecular Weight418.41 g/mol
Exact Mass418.09
IUPAC Name5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C19H16F6N2S/c1-2-16-11-27(15-8-4-6-13(10-15)19(23,24)25)17(28-16)26-14-7-3-5-12(9-14)18(20,21)22/h3-10,16H,2,11H2,1H3/b26-17-
InChIKeyTTYKQSAOKXYLSD-ONUIUJJFSA-N
XLogP6.74
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 ≤ 56.74
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,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 15679904) is 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is TTYKQSAOKXYLSD-ONUIUJJFSA-N. The full InChI is InChI=1S/C19H16F6N2S/c1-2-16-11-27(15-8-4-6-13(10-15)19(23,24)25)17(28-16)26-14-7-3-5-12(9-14)18(20,21)22/h3-10,16H,2,11H2,1H3/b26-17-.
What are the key properties of 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 418.41 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 15679904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).