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

C14H14ClN3S — CID 13735

IUPAC(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride
SMILESC[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1.[Cl-]
InChIInChI=1S/C14H13N3S.ClH/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;1H
InChIKeyNALREUIWICQLPS-UHFFFAOYSA-N
MW291.81 g/mol
LogP-0.98
Rot. Bonds

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

(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride (PubChem CID 13735) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride.

Molecular Properties

Compound Name(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride
PubChem CID13735
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride
SMILESC[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1.[Cl-]
InChIInChI=1S/C14H13N3S.ClH/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;1H
InChIKeyNALREUIWICQLPS-UHFFFAOYSA-N
XLogP-0.98
TPSA41.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 5-0.98
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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Related Compounds

[7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride
CID 2753311
(7-amino-8-tert-butylphenothiazin-3-ylidene)-dimethylazanium
CID 53391324
[7-[tert-butyl(methyl)amino]phenothiazin-3-ylidene]-dimethylazanium
CID 171469979
acetic acid;(7-aminophenothiazin-3-ylidene)azanium;chloride
CID 87151832
(7-amino-8-propylphenothiazin-3-ylidene)-dimethylazanium
CID 53373592
dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium
CID 10026339
[7-[2-azaniumylethyl(methyl)amino]phenothiazin-3-ylidene]-dimethylazanium
CID 101465375
[7-(diethylamino)phenothiazin-3-ylidene]-diethylazanium chloride
CID 24782964
ethyl-[7-[ethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium
CID 59459696
(1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol
CID 40579547
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride
CID 159676609
[7-[bis[3-(diethylamino)propyl]amino]phenothiazin-3-ylidene]-bis[3-(diethylamino)propyl]azanium bromide
CID 46893107

Frequently Asked Questions

What is the IUPAC name of (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride?
The IUPAC name of (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride (CID 13735) is (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride.
What is the SMILES notation for (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride?
The canonical SMILES for (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride is C[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1.[Cl-].
What is the InChIKey of (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride?
The InChIKey is NALREUIWICQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S.ClH/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;1H.
What are the key properties of (7-aminophenothiazin-3-ylidene)-dimethylazanium chloride?
(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride has a molecular weight of 291.81 g/mol, XLogP of -0.98, 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 chloride is sourced from PubChem (CID 13735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).