3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide

C16H21Br2N3S — CID 23651551

IUPAC3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide
SMILESBr.Br.CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2
InChIInChI=1S/C16H19N3S.2BrH/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;2*1H
InChIKeyJAUPSVVTGFBHTN-UHFFFAOYSA-N
MW447.24 g/mol
LogP5.18
Rot. Bonds2

About 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide

3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide (PubChem CID 23651551) has the molecular formula C16H21Br2N3S and a molecular weight of 447.24 g/mol. Its IUPAC name is 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide.

Molecular Properties

Compound Name3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide
PubChem CID23651551
Molecular FormulaC16H21Br2N3S
Molecular Weight447.24 g/mol
Exact Mass444.98
IUPAC Name3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide
SMILESBr.Br.CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2
InChIInChI=1S/C16H19N3S.2BrH/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;2*1H
InChIKeyJAUPSVVTGFBHTN-UHFFFAOYSA-N
XLogP5.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide?
The IUPAC name of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide (CID 23651551) is 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide.
What is the SMILES notation for 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide?
The canonical SMILES for 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide is Br.Br.CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2.
What is the InChIKey of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide?
The InChIKey is JAUPSVVTGFBHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S.2BrH/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;2*1H.
What are the key properties of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide?
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide has a molecular weight of 447.24 g/mol, XLogP of 5.18, 2 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-tetramethyl-10H-phenothiazine-3,7-diamine;dihydrobromide is sourced from PubChem (CID 23651551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).