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

C18H21N3OS — CID 19825832

IUPAC1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
SMILESCC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21
InChIInChI=1S/C18H21N3OS/c1-12(22)21-15-8-6-13(19(2)3)10-17(15)23-18-11-14(20(4)5)7-9-16(18)21/h6-11H,1-5H3
InChIKeyJEOGFTYLESYHAM-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.97
Rot. Bonds2

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

1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone (PubChem CID 19825832) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone.

Molecular Properties

Compound Name1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
PubChem CID19825832
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone
SMILESCC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21
InChIInChI=1S/C18H21N3OS/c1-12(22)21-15-8-6-13(19(2)3)10-17(15)23-18-11-14(20(4)5)7-9-16(18)21/h6-11H,1-5H3
InChIKeyJEOGFTYLESYHAM-UHFFFAOYSA-N
XLogP3.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone?
The IUPAC name of 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone (CID 19825832) is 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone.
What is the SMILES notation for 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone?
The canonical SMILES for 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone is CC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21.
What is the InChIKey of 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone?
The InChIKey is JEOGFTYLESYHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12(22)21-15-8-6-13(19(2)3)10-17(15)23-18-11-14(20(4)5)7-9-16(18)21/h6-11H,1-5H3.
What are the key properties of 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone?
1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone has a molecular weight of 327.45 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,7-bis(dimethylamino)phenothiazin-10-yl]ethanone is sourced from PubChem (CID 19825832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).