[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium

C16H21N3S+2 — CID 122173994

IUPAC[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium
SMILESC[NH+](C)c1ccc2c(c1)Sc1cc([NH+](C)C)ccc1N2
InChIInChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/p+2
InChIKeyQTWZICCBKBYHDM-UHFFFAOYSA-P
MW287.43 g/mol
LogP1.45
Rot. Bonds2

About [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium

[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium (PubChem CID 122173994) has the molecular formula C16H21N3S+2 and a molecular weight of 287.43 g/mol. Its IUPAC name is [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium.

Molecular Properties

Compound Name[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium
PubChem CID122173994
Molecular FormulaC16H21N3S+2
Molecular Weight287.43 g/mol
Exact Mass287.14
IUPAC Name[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium
SMILESC[NH+](C)c1ccc2c(c1)Sc1cc([NH+](C)C)ccc1N2
InChIInChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/p+2
InChIKeyQTWZICCBKBYHDM-UHFFFAOYSA-P
XLogP1.45
TPSA20.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium 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 [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium?
The IUPAC name of [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium (CID 122173994) is [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium.
What is the SMILES notation for [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium?
The canonical SMILES for [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium is C[NH+](C)c1ccc2c(c1)Sc1cc([NH+](C)C)ccc1N2.
What is the InChIKey of [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium?
The InChIKey is QTWZICCBKBYHDM-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/p+2.
What are the key properties of [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium?
[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium has a molecular weight of 287.43 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium is sourced from PubChem (CID 122173994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).