(7-aminophenothiazin-3-ylidene)-dimethylazanium

C14H14N3S+ — CID 13736

IUPAC(7-aminophenothiazin-3-ylidene)-dimethylazanium
SMILESC[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1
InChIInChI=1S/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3/p+1
InChIKeyHMYISFASHDWPMO-UHFFFAOYSA-O
MW256.35 g/mol
LogP2.02
Rot. Bonds

About (7-aminophenothiazin-3-ylidene)-dimethylazanium

(7-aminophenothiazin-3-ylidene)-dimethylazanium (PubChem CID 13736) has the molecular formula C14H14N3S+ and a molecular weight of 256.35 g/mol. Its IUPAC name is (7-aminophenothiazin-3-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(7-aminophenothiazin-3-ylidene)-dimethylazanium
PubChem CID13736
Molecular FormulaC14H14N3S+
Molecular Weight256.35 g/mol
Exact Mass256.09
IUPAC Name(7-aminophenothiazin-3-ylidene)-dimethylazanium
SMILESC[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1
InChIInChI=1S/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3/p+1
InChIKeyHMYISFASHDWPMO-UHFFFAOYSA-O
XLogP2.02
TPSA41.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-aminophenothiazin-3-ylidene)-dimethylazanium?
The IUPAC name of (7-aminophenothiazin-3-ylidene)-dimethylazanium (CID 13736) is (7-aminophenothiazin-3-ylidene)-dimethylazanium.
What is the SMILES notation for (7-aminophenothiazin-3-ylidene)-dimethylazanium?
The canonical SMILES for (7-aminophenothiazin-3-ylidene)-dimethylazanium is C[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1.
What is the InChIKey of (7-aminophenothiazin-3-ylidene)-dimethylazanium?
The InChIKey is HMYISFASHDWPMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3/p+1.
What are the key properties of (7-aminophenothiazin-3-ylidene)-dimethylazanium?
(7-aminophenothiazin-3-ylidene)-dimethylazanium has a molecular weight of 256.35 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-aminophenothiazin-3-ylidene)-dimethylazanium is sourced from PubChem (CID 13736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).