10-ethylphenothiazine-3,7-dicarbonitrile

C16H11N3S — CID 102137562

IUPAC10-ethylphenothiazine-3,7-dicarbonitrile
SMILESCCN1c2ccc(C#N)cc2Sc2cc(C#N)ccc21
InChIInChI=1S/C16H11N3S/c1-2-19-13-5-3-11(9-17)7-15(13)20-16-8-12(10-18)4-6-14(16)19/h3-8H,2H2,1H3
InChIKeyXHBNXBOAFVPLAO-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.05
Rot. Bonds1

About 10-ethylphenothiazine-3,7-dicarbonitrile

10-ethylphenothiazine-3,7-dicarbonitrile (PubChem CID 102137562) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 10-ethylphenothiazine-3,7-dicarbonitrile.

Molecular Properties

Compound Name10-ethylphenothiazine-3,7-dicarbonitrile
PubChem CID102137562
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name10-ethylphenothiazine-3,7-dicarbonitrile
SMILESCCN1c2ccc(C#N)cc2Sc2cc(C#N)ccc21
InChIInChI=1S/C16H11N3S/c1-2-19-13-5-3-11(9-17)7-15(13)20-16-8-12(10-18)4-6-14(16)19/h3-8H,2H2,1H3
InChIKeyXHBNXBOAFVPLAO-UHFFFAOYSA-N
XLogP4.05
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-ethylphenothiazine-3,7-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-ethylphenoxazine-3,7-dicarbonitrile
CID 102137564
2,5-bis[2-(10-ethylphenothiazin-3-yl)ethenyl]benzene-1,4-dicarbonitrile
CID 69121329
2-chloro-1,3-diethyl-2H-benzimidazole-5-carbonitrile
CID 67082036
1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
CID 86059612
4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007059
1-ethyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007192
7-(2-cyanophenothiazin-10-yl)-10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
CID 76901139
10-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenothiazine-3-carbonitrile
CID 59814731
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(4-ethylpiperazin-1-yl)-3-methylbenzonitrile
CID 54934181
(10-ethylphenothiazin-3-yl) formate
CID 174918286
10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile
CID 19020533

Frequently Asked Questions

What is the IUPAC name of 10-ethylphenothiazine-3,7-dicarbonitrile?
The IUPAC name of 10-ethylphenothiazine-3,7-dicarbonitrile (CID 102137562) is 10-ethylphenothiazine-3,7-dicarbonitrile.
What is the SMILES notation for 10-ethylphenothiazine-3,7-dicarbonitrile?
The canonical SMILES for 10-ethylphenothiazine-3,7-dicarbonitrile is CCN1c2ccc(C#N)cc2Sc2cc(C#N)ccc21.
What is the InChIKey of 10-ethylphenothiazine-3,7-dicarbonitrile?
The InChIKey is XHBNXBOAFVPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-2-19-13-5-3-11(9-17)7-15(13)20-16-8-12(10-18)4-6-14(16)19/h3-8H,2H2,1H3.
What are the key properties of 10-ethylphenothiazine-3,7-dicarbonitrile?
10-ethylphenothiazine-3,7-dicarbonitrile has a molecular weight of 277.35 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylphenothiazine-3,7-dicarbonitrile is sourced from PubChem (CID 102137562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).