1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone

C18H17NO2S — CID 86059612

IUPAC1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
SMILESCCN1c2ccc(C(C)=O)cc2Sc2cc(C(C)=O)ccc21
InChIInChI=1S/C18H17NO2S/c1-4-19-15-7-5-13(11(2)20)9-17(15)22-18-10-14(12(3)21)6-8-16(18)19/h5-10H,4H2,1-3H3
InChIKeyMMTODVGMKSKVNB-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.71
Rot. Bonds3

About 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone

1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone (PubChem CID 86059612) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
PubChem CID86059612
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
SMILESCCN1c2ccc(C(C)=O)cc2Sc2cc(C(C)=O)ccc21
InChIInChI=1S/C18H17NO2S/c1-4-19-15-7-5-13(11(2)20)9-17(15)22-18-10-14(12(3)21)6-8-16(18)19/h5-10H,4H2,1-3H3
InChIKeyMMTODVGMKSKVNB-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-2-methyl-4-propyl-1,4-benzothiazin-3-one
CID 84615205
1-[10-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazin-7-yl]ethanone;hydrochloride
CID 110174629
10-ethylphenothiazine-3,7-dicarbonitrile
CID 102137562
7-acetyl-4-(3-oxobutyl)-1,4-benzothiazin-3-one
CID 84615326
4-ethyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615377
2-[5-[1-(10-ethylphenothiazin-3-yl)heptylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 59538347
10-hexadecylphenothiazine-3-carboxamide
CID 102483865
7-acetyl-4-but-3-enyl-2-ethyl-1,4-benzothiazin-3-one
CID 84615176
7-acetyl-4-(2,3-dihydroxypropyl)-1,4-benzothiazin-3-one
CID 84615317
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
10-ethylphenothiazine-2-carbothioamide
CID 174550563
6-acetyl-4-ethyl-2-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one
CID 84615918

Frequently Asked Questions

What is the IUPAC name of 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone?
The IUPAC name of 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone (CID 86059612) is 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone.
What is the SMILES notation for 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone?
The canonical SMILES for 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone is CCN1c2ccc(C(C)=O)cc2Sc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone?
The InChIKey is MMTODVGMKSKVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-4-19-15-7-5-13(11(2)20)9-17(15)22-18-10-14(12(3)21)6-8-16(18)19/h5-10H,4H2,1-3H3.
What are the key properties of 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone?
1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone has a molecular weight of 311.41 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone is sourced from PubChem (CID 86059612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).