N-(4-ethylphenyl)phenothiazin-3-imine

C20H16N2S — CID 10149706

IUPACN-(4-ethylphenyl)phenothiazin-3-imine
SMILESCCc1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1
InChIInChI=1S/C20H16N2S/c1-2-14-7-9-15(10-8-14)21-16-11-12-18-20(13-16)23-19-6-4-3-5-17(19)22-18/h3-13H,2H2,1H3/b21-16+
InChIKeyKHAPWYDGYZRRII-LTGZKZEYSA-N
MW316.43 g/mol
LogP5.20
Rot. Bonds2

About N-(4-ethylphenyl)phenothiazin-3-imine

N-(4-ethylphenyl)phenothiazin-3-imine (PubChem CID 10149706) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)phenothiazin-3-imine.

Molecular Properties

Compound NameN-(4-ethylphenyl)phenothiazin-3-imine
PubChem CID10149706
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC NameN-(4-ethylphenyl)phenothiazin-3-imine
SMILESCCc1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1
InChIInChI=1S/C20H16N2S/c1-2-14-7-9-15(10-8-14)21-16-11-12-18-20(13-16)23-19-6-4-3-5-17(19)22-18/h3-13H,2H2,1H3/b21-16+
InChIKeyKHAPWYDGYZRRII-LTGZKZEYSA-N
XLogP5.20
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)phenothiazin-3-imine?
The IUPAC name of N-(4-ethylphenyl)phenothiazin-3-imine (CID 10149706) is N-(4-ethylphenyl)phenothiazin-3-imine.
What is the SMILES notation for N-(4-ethylphenyl)phenothiazin-3-imine?
The canonical SMILES for N-(4-ethylphenyl)phenothiazin-3-imine is CCc1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)phenothiazin-3-imine?
The InChIKey is KHAPWYDGYZRRII-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-2-14-7-9-15(10-8-14)21-16-11-12-18-20(13-16)23-19-6-4-3-5-17(19)22-18/h3-13H,2H2,1H3/b21-16+.
What are the key properties of N-(4-ethylphenyl)phenothiazin-3-imine?
N-(4-ethylphenyl)phenothiazin-3-imine has a molecular weight of 316.43 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)phenothiazin-3-imine is sourced from PubChem (CID 10149706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).