[7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride

C16H20ClN3S — CID 68965003

IUPAC[7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride
SMILESCN(C)c1ccc2c(c1)SC1=C(C=CC(=[N+](C)C)C1)N2.[Cl-]
InChIInChI=1S/C16H20N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-9,17H,10H2,1-4H3;1H/q+1;/p-1
InChIKeyZFHLKHBDVBKUDL-UHFFFAOYSA-M
MW321.88 g/mol
LogP0.16
Rot. Bonds1

About [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride

[7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride (PubChem CID 68965003) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride
PubChem CID68965003
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name[7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride
SMILESCN(C)c1ccc2c(c1)SC1=C(C=CC(=[N+](C)C)C1)N2.[Cl-]
InChIInChI=1S/C16H20N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-9,17H,10H2,1-4H3;1H/q+1;/p-1
InChIKeyZFHLKHBDVBKUDL-UHFFFAOYSA-M
XLogP0.16
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[7-(dimethylamino)-4-nitro-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride
CID 118946429
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydroiodide
CID 16747676
3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine
CID 170996970
3-N,3-N,7-N,7-N-tetrabutyl-10H-phenothiazine-3,7-diamine
CID 21441331
N,N-dibutyl-10H-phenothiazin-3-amine
CID 68756798
1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
CID 154159109
N,N-diethyl-10H-phenothiazin-3-amine
CID 68755312
3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine
CID 66562549
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;chloride
CID 158285711
3-N,7-N,7-N-tris(trideuteriomethyl)-10H-phenothiazine-3,7-diamine;dihydrobromide
CID 170996966
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525

Frequently Asked Questions

What is the IUPAC name of [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride?
The IUPAC name of [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride (CID 68965003) is [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride.
What is the SMILES notation for [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride?
The canonical SMILES for [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride is CN(C)c1ccc2c(c1)SC1=C(C=CC(=[N+](C)C)C1)N2.[Cl-].
What is the InChIKey of [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride?
The InChIKey is ZFHLKHBDVBKUDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-9,17H,10H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride?
[7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride has a molecular weight of 321.88 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride is sourced from PubChem (CID 68965003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).