1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone

C19H22N2OS — CID 26035

IUPAC1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
InChIKeyXLOQNFNTQIRSOX-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.44
Rot. Bonds4

About 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone

1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone (PubChem CID 26035) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
PubChem CID26035
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
InChIKeyXLOQNFNTQIRSOX-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propiomazine
CID 4940
Acepromazine
CID 6077
Butaperazine
CID 12598
Piperacetazine
CID 19675
Carphenazine
CID 18104
Acepromazine Maleate
CID 6420038
Propionylpromazine
CID 24352
Acetophenazine
CID 17676
Acetophenazine Maleate
CID 5281082
Propiomazine Hydrochloride
CID 71802
Carphenazine Maleate
CID 6433356
2-Acetylphenothiazine
CID 81131

Frequently Asked Questions

What is the IUPAC name of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
The IUPAC name of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone (CID 26035) is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.
What is the SMILES notation for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
The canonical SMILES for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone is CC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.
What is the InChIKey of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
The InChIKey is XLOQNFNTQIRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3.
What are the key properties of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone?
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone has a molecular weight of 326.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone is sourced from PubChem (CID 26035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).