diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium

C15H16N5S+ — CID 2340942

IUPACdiaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium
SMILESC=C(N[NH+]=C(N)N)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C15H15N5S/c1-9(19-20-15(16)17)10-6-7-14-12(8-10)18-11-4-2-3-5-13(11)21-14/h2-8,18-19H,1H2,(H4,16,17,20)/p+1
InChIKeyXDTKCAJOQCGEJX-UHFFFAOYSA-O
MW298.40 g/mol
LogP0.72
Rot. Bonds3

About diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium

diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium (PubChem CID 2340942) has the molecular formula C15H16N5S+ and a molecular weight of 298.40 g/mol. Its IUPAC name is diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium.

Molecular Properties

Compound Namediaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium
PubChem CID2340942
Molecular FormulaC15H16N5S+
Molecular Weight298.40 g/mol
Exact Mass298.11
IUPAC Namediaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium
SMILESC=C(N[NH+]=C(N)N)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C15H15N5S/c1-9(19-20-15(16)17)10-6-7-14-12(8-10)18-11-4-2-3-5-13(11)21-14/h2-8,18-19H,1H2,(H4,16,17,20)/p+1
InChIKeyXDTKCAJOQCGEJX-UHFFFAOYSA-O
XLogP0.72
TPSA90.07 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 50.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium 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 diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium?
The IUPAC name of diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium (CID 2340942) is diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium.
What is the SMILES notation for diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium?
The canonical SMILES for diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium is C=C(N[NH+]=C(N)N)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium?
The InChIKey is XDTKCAJOQCGEJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N5S/c1-9(19-20-15(16)17)10-6-7-14-12(8-10)18-11-4-2-3-5-13(11)21-14/h2-8,18-19H,1H2,(H4,16,17,20)/p+1.
What are the key properties of diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium?
diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium has a molecular weight of 298.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium is sourced from PubChem (CID 2340942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).