2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine

C23H20N2S — CID 145359428

IUPAC2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine
SMILESC=C(C)c1cccc(/N=c2\cc3sc4ccccc4nc-3cc2CC)c1
InChIInChI=1S/C23H20N2S/c1-4-16-13-21-23(26-22-11-6-5-10-19(22)25-21)14-20(16)24-18-9-7-8-17(12-18)15(2)3/h5-14H,2,4H2,1,3H3/b24-20+
InChIKeyLBUZUGLKZNUSEK-HIXSDJFHSA-N
MW356.49 g/mol
LogP6.23
Rot. Bonds3

About 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine

2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine (PubChem CID 145359428) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine.

Molecular Properties

Compound Name2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine
PubChem CID145359428
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC Name2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine
SMILESC=C(C)c1cccc(/N=c2\cc3sc4ccccc4nc-3cc2CC)c1
InChIInChI=1S/C23H20N2S/c1-4-16-13-21-23(26-22-11-6-5-10-19(22)25-21)14-20(16)24-18-9-7-8-17(12-18)15(2)3/h5-14H,2,4H2,1,3H3/b24-20+
InChIKeyLBUZUGLKZNUSEK-HIXSDJFHSA-N
XLogP6.23
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(3-prop-1-en-2-ylphenyl)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 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine?
The IUPAC name of 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine (CID 145359428) is 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine.
What is the SMILES notation for 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine?
The canonical SMILES for 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine is C=C(C)c1cccc(/N=c2\cc3sc4ccccc4nc-3cc2CC)c1.
What is the InChIKey of 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine?
The InChIKey is LBUZUGLKZNUSEK-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H20N2S/c1-4-16-13-21-23(26-22-11-6-5-10-19(22)25-21)14-20(16)24-18-9-7-8-17(12-18)15(2)3/h5-14H,2,4H2,1,3H3/b24-20+.
What are the key properties of 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine?
2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine has a molecular weight of 356.49 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine is sourced from PubChem (CID 145359428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).