1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride

C16H16Cl2N2OS — CID 2938465

IUPAC1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C16H15ClN2OS.ClH/c1-18(2)10-16(20)19-12-5-3-4-6-14(12)21-15-8-7-11(17)9-13(15)19;/h3-9H,10H2,1-2H3;1H
InChIKeyIFSUMCFWIQREDA-UHFFFAOYSA-N
MW355.29 g/mol
LogP4.45
Rot. Bonds2

About 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride

1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride (PubChem CID 2938465) has the molecular formula C16H16Cl2N2OS and a molecular weight of 355.29 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride
PubChem CID2938465
Molecular FormulaC16H16Cl2N2OS
Molecular Weight355.29 g/mol
Exact Mass354.04
IUPAC Name1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C16H15ClN2OS.ClH/c1-18(2)10-16(20)19-12-5-3-4-6-14(12)21-15-8-7-11(17)9-13(15)19;/h3-9H,10H2,1-2H3;1H
InChIKeyIFSUMCFWIQREDA-UHFFFAOYSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride (CID 2938465) is 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride is CN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.Cl.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride?
The InChIKey is IFSUMCFWIQREDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS.ClH/c1-18(2)10-16(20)19-12-5-3-4-6-14(12)21-15-8-7-11(17)9-13(15)19;/h3-9H,10H2,1-2H3;1H.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride?
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride has a molecular weight of 355.29 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone;hydrochloride is sourced from PubChem (CID 2938465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).