3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine

C16H19N3S — CID 170996970

IUPAC3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine
SMILES[2H]C([2H])([2H])N(c1ccc2c(c1)Sc1cc(N(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc1N2)C([2H])([2H])[2H]
InChIInChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyQTWZICCBKBYHDM-MGKWXGLJSA-N
MW297.49 g/mol
LogP4.03
Rot. Bonds6

About 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine

3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine (PubChem CID 170996970) has the molecular formula C16H19N3S and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine.

Molecular Properties

Compound Name3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine
PubChem CID170996970
Molecular FormulaC16H19N3S
Molecular Weight297.49 g/mol
Exact Mass297.21
IUPAC Name3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine
SMILES[2H]C([2H])([2H])N(c1ccc2c(c1)Sc1cc(N(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc1N2)C([2H])([2H])[2H]
InChIInChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyQTWZICCBKBYHDM-MGKWXGLJSA-N
XLogP4.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,7-N,7-N-tris(trideuteriomethyl)-10H-phenothiazine-3,7-diamine;dihydrobromide
CID 170996966
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-tetrabutyl-10H-phenothiazine-3,7-diamine
CID 21441331
N,N-diethyl-10H-phenothiazin-3-amine
CID 68755312
1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
CID 154159109
N,N-dibutyl-10H-phenothiazin-3-amine
CID 68756798
3,7-dichloro-10H-phenothiazine;hydrochloride
CID 135325177
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-5-ium-3,7-diamine bromide
CID 157292937
[7-(dimethylamino)-4,10-dihydrophenothiazin-3-ylidene]-dimethylazanium chloride
CID 68965003
3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine
CID 66562549
2-benzyl-7-N,7-N-diethyl-10H-phenothiazine-3,7-diamine
CID 67403241
N-ethyl-10H-phenothiazin-3-amine
CID 163231038

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine?
The IUPAC name of 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine (CID 170996970) is 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine.
What is the SMILES notation for 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine?
The canonical SMILES for 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine is [2H]C([2H])([2H])N(c1ccc2c(c1)Sc1cc(N(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc1N2)C([2H])([2H])[2H].
What is the InChIKey of 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine?
The InChIKey is QTWZICCBKBYHDM-MGKWXGLJSA-N. The full InChI is InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/i1D3,2D3,3D3,4D3.
What are the key properties of 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine?
3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine has a molecular weight of 297.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine is sourced from PubChem (CID 170996970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).