[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

CID 6099
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CID 13735
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CID 65043
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CID 4139
CID 4139
CID 75889
CID 75889
CID 462371
CID 462371
CID 68275
CID 68275
CID 164695
CID 164695
CID 14274774
CID 14274774
CID 16218618
CID 16218618
CID 16211647
CID 16211647

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).