2-ethyl-7-methylphenothiazin-3-imine

C15H14N2S — CID 158738610

IUPAC2-ethyl-7-methylphenothiazin-3-imine
SMILES[H]/N=c1\cc2sc3cc(C)ccc3nc-2cc1CC
InChIInChI=1S/C15H14N2S/c1-3-10-7-13-15(8-11(10)16)18-14-6-9(2)4-5-12(14)17-13/h4-8,16H,3H2,1-2H3/b16-11+
InChIKeyGGHARDNJNAYQRD-LFIBNONCSA-N
MW254.36 g/mol
LogP3.75
Rot. Bonds1

About 2-ethyl-7-methylphenothiazin-3-imine

2-ethyl-7-methylphenothiazin-3-imine (PubChem CID 158738610) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-ethyl-7-methylphenothiazin-3-imine.

Molecular Properties

Compound Name2-ethyl-7-methylphenothiazin-3-imine
PubChem CID158738610
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-ethyl-7-methylphenothiazin-3-imine
SMILES[H]/N=c1\cc2sc3cc(C)ccc3nc-2cc1CC
InChIInChI=1S/C15H14N2S/c1-3-10-7-13-15(8-11(10)16)18-14-6-9(2)4-5-12(14)17-13/h4-8,16H,3H2,1-2H3/b16-11+
InChIKeyGGHARDNJNAYQRD-LFIBNONCSA-N
XLogP3.75
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
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 2-ethyl-7-methylphenothiazin-3-imine?
The IUPAC name of 2-ethyl-7-methylphenothiazin-3-imine (CID 158738610) is 2-ethyl-7-methylphenothiazin-3-imine.
What is the SMILES notation for 2-ethyl-7-methylphenothiazin-3-imine?
The canonical SMILES for 2-ethyl-7-methylphenothiazin-3-imine is [H]/N=c1\cc2sc3cc(C)ccc3nc-2cc1CC.
What is the InChIKey of 2-ethyl-7-methylphenothiazin-3-imine?
The InChIKey is GGHARDNJNAYQRD-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N2S/c1-3-10-7-13-15(8-11(10)16)18-14-6-9(2)4-5-12(14)17-13/h4-8,16H,3H2,1-2H3/b16-11+.
What are the key properties of 2-ethyl-7-methylphenothiazin-3-imine?
2-ethyl-7-methylphenothiazin-3-imine has a molecular weight of 254.36 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methylphenothiazin-3-imine is sourced from PubChem (CID 158738610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).