N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine

C19H11F3N2S — CID 174606050

IUPACN-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine
SMILESFC(F)(F)c1ccccc1/N=c1\ccc2nc3ccccc3sc-2c1
InChIInChI=1S/C19H11F3N2S/c20-19(21,22)13-5-1-2-6-14(13)23-12-9-10-16-18(11-12)25-17-8-4-3-7-15(17)24-16/h1-11H/b23-12+
InChIKeyHGFANLOGKROMHO-FSJBWODESA-N
MW356.37 g/mol
LogP5.65
Rot. Bonds1

About N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine

N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine (PubChem CID 174606050) has the molecular formula C19H11F3N2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine
PubChem CID174606050
Molecular FormulaC19H11F3N2S
Molecular Weight356.37 g/mol
Exact Mass356.06
IUPAC NameN-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine
SMILESFC(F)(F)c1ccccc1/N=c1\ccc2nc3ccccc3sc-2c1
InChIInChI=1S/C19H11F3N2S/c20-19(21,22)13-5-1-2-6-14(13)23-12-9-10-16-18(11-12)25-17-8-4-3-7-15(17)24-16/h1-11H/b23-12+
InChIKeyHGFANLOGKROMHO-FSJBWODESA-N
XLogP5.65
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-(trifluoromethyl)phenyl]phenothiazin-3-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 N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine (CID 174606050) is N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine is FC(F)(F)c1ccccc1/N=c1\ccc2nc3ccccc3sc-2c1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine?
The InChIKey is HGFANLOGKROMHO-FSJBWODESA-N. The full InChI is InChI=1S/C19H11F3N2S/c20-19(21,22)13-5-1-2-6-14(13)23-12-9-10-16-18(11-12)25-17-8-4-3-7-15(17)24-16/h1-11H/b23-12+.
What are the key properties of N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine?
N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine has a molecular weight of 356.37 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]phenothiazin-3-imine is sourced from PubChem (CID 174606050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).