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

C16H15ClN2OS — CID 709851

IUPAC1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2OS/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
InChIKeyDPUUYNGMSOUYKR-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.03
Rot. Bonds2

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

1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone (PubChem CID 709851) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
PubChem CID709851
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2OS/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
InChIKeyDPUUYNGMSOUYKR-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride
CID 43834134
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
2-azido-1-(2-chlorophenothiazin-10-yl)ethanone
CID 86728072
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772493
butyl-[2-[2-[butyl(carboxy)amino]ethyl-(2-chlorophenothiazine-10-carbonyl)amino]ethyl]carbamic acid
CID 90474500
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 54337450
4-(2-chlorophenothiazin-10-yl)-4-oxo-N-phenylbutanamide
CID 102095506
1-(2-chlorophenothiazin-10-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1160651
(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone
CID 91689668

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone (CID 709851) is 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone?
The InChIKey is DPUUYNGMSOUYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/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.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone?
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone has a molecular weight of 318.83 g/mol, XLogP of 4.03, 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 is sourced from PubChem (CID 709851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).