1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone

C18H21N3OS — CID 154159109

IUPAC1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
SMILESCC(=O)c1cc(N(C)C)cc2c1Nc1ccc(N(C)C)cc1S2
InChIInChI=1S/C18H21N3OS/c1-11(22)14-8-13(21(4)5)10-17-18(14)19-15-7-6-12(20(2)3)9-16(15)23-17/h6-10,19H,1-5H3
InChIKeyQJCDGWJNJFPQJG-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.23
Rot. Bonds3

About 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone

1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone (PubChem CID 154159109) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
PubChem CID154159109
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
SMILESCC(=O)c1cc(N(C)C)cc2c1Nc1ccc(N(C)C)cc1S2
InChIInChI=1S/C18H21N3OS/c1-11(22)14-8-13(21(4)5)10-17-18(14)19-15-7-6-12(20(2)3)9-16(15)23-17/h6-10,19H,1-5H3
InChIKeyQJCDGWJNJFPQJG-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydroiodide
CID 16747676
1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093
3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine
CID 170996970
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
1-[3-acetyl-2-chloro-5-(dimethylamino)phenyl]ethanone
CID 15156691
3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine
CID 66562549
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine
CID 161377145
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone;[7-(dimethylazaniumyl)-10H-phenothiazin-3-yl]-dimethylazanium;ethane-1,2-disulfonate;methane
CID 165038110
N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
CID 15918618
1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
CID 82397112
3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
CID 23558007

Frequently Asked Questions

What is the IUPAC name of 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone?
The IUPAC name of 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone (CID 154159109) is 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone.
What is the SMILES notation for 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone?
The canonical SMILES for 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone is CC(=O)c1cc(N(C)C)cc2c1Nc1ccc(N(C)C)cc1S2.
What is the InChIKey of 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone?
The InChIKey is QJCDGWJNJFPQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-11(22)14-8-13(21(4)5)10-17-18(14)19-15-7-6-12(20(2)3)9-16(15)23-17/h6-10,19H,1-5H3.
What are the key properties of 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone?
1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone has a molecular weight of 327.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone is sourced from PubChem (CID 154159109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).