10-ethyl-3,7-dimethylphenothiazine

C16H17NS — CID 58800458

IUPAC10-ethyl-3,7-dimethylphenothiazine
SMILESCCN1c2ccc(C)cc2Sc2cc(C)ccc21
InChIInChI=1S/C16H17NS/c1-4-17-13-7-5-11(2)9-15(13)18-16-10-12(3)6-8-14(16)17/h5-10H,4H2,1-3H3
InChIKeyRYICFQFOZJIHTK-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.93
Rot. Bonds1

About 10-ethyl-3,7-dimethylphenothiazine

10-ethyl-3,7-dimethylphenothiazine (PubChem CID 58800458) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 10-ethyl-3,7-dimethylphenothiazine.

Molecular Properties

Compound Name10-ethyl-3,7-dimethylphenothiazine
PubChem CID58800458
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name10-ethyl-3,7-dimethylphenothiazine
SMILESCCN1c2ccc(C)cc2Sc2cc(C)ccc21
InChIInChI=1S/C16H17NS/c1-4-17-13-7-5-11(2)9-15(13)18-16-10-12(3)6-8-14(16)17/h5-10H,4H2,1-3H3
InChIKeyRYICFQFOZJIHTK-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-ethyl-3,7-dimethylphenothiazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3,7-dimethylphenothiazine?
The IUPAC name of 10-ethyl-3,7-dimethylphenothiazine (CID 58800458) is 10-ethyl-3,7-dimethylphenothiazine.
What is the SMILES notation for 10-ethyl-3,7-dimethylphenothiazine?
The canonical SMILES for 10-ethyl-3,7-dimethylphenothiazine is CCN1c2ccc(C)cc2Sc2cc(C)ccc21.
What is the InChIKey of 10-ethyl-3,7-dimethylphenothiazine?
The InChIKey is RYICFQFOZJIHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-4-17-13-7-5-11(2)9-15(13)18-16-10-12(3)6-8-14(16)17/h5-10H,4H2,1-3H3.
What are the key properties of 10-ethyl-3,7-dimethylphenothiazine?
10-ethyl-3,7-dimethylphenothiazine has a molecular weight of 255.39 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3,7-dimethylphenothiazine is sourced from PubChem (CID 58800458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).