2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine

C20H19F3N2S — CID 56612085

IUPAC2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine
SMILES[H]/N=C1\C(C)N=C(C)C(c2ccccc2)C1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2S/c1-12-17(14-6-4-3-5-7-14)18(19(24)13(2)25-12)15-8-10-16(11-9-15)26-20(21,22)23/h3-11,13,17-18,24H,1-2H3/b24-19+
InChIKeyUFLMHUXDFDMXTJ-LYBHJNIJSA-N
MW376.45 g/mol
LogP6.05
Rot. Bonds3

About 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine

2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine (PubChem CID 56612085) has the molecular formula C20H19F3N2S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine.

Molecular Properties

Compound Name2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine
PubChem CID56612085
Molecular FormulaC20H19F3N2S
Molecular Weight376.45 g/mol
Exact Mass376.12
IUPAC Name2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine
SMILES[H]/N=C1\C(C)N=C(C)C(c2ccccc2)C1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2S/c1-12-17(14-6-4-3-5-7-14)18(19(24)13(2)25-12)15-8-10-16(11-9-15)26-20(21,22)23/h3-11,13,17-18,24H,1-2H3/b24-19+
InChIKeyUFLMHUXDFDMXTJ-LYBHJNIJSA-N
XLogP6.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine?
The IUPAC name of 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine (CID 56612085) is 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine.
What is the SMILES notation for 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine?
The canonical SMILES for 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine is [H]/N=C1\C(C)N=C(C)C(c2ccccc2)C1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine?
The InChIKey is UFLMHUXDFDMXTJ-LYBHJNIJSA-N. The full InChI is InChI=1S/C20H19F3N2S/c1-12-17(14-6-4-3-5-7-14)18(19(24)13(2)25-12)15-8-10-16(11-9-15)26-20(21,22)23/h3-11,13,17-18,24H,1-2H3/b24-19+.
What are the key properties of 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine?
2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine has a molecular weight of 376.45 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-phenyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydro-2H-pyridin-3-imine is sourced from PubChem (CID 56612085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).