5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one

C17H14N2OS — CID 101441414

IUPAC5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one
SMILESCN1C(=O)c2c(c3ccccc3n2C)Sc2ccccc21
InChIInChI=1S/C17H14N2OS/c1-18-12-8-4-3-7-11(12)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3
InChIKeyXEINWEAQWBQTDQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.92
Rot. Bonds

About 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one

5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one (PubChem CID 101441414) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one.

Molecular Properties

Compound Name5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one
PubChem CID101441414
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one
SMILESCN1C(=O)c2c(c3ccccc3n2C)Sc2ccccc21
InChIInChI=1S/C17H14N2OS/c1-18-12-8-4-3-7-11(12)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3
InChIKeyXEINWEAQWBQTDQ-UHFFFAOYSA-N
XLogP3.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one 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 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
The IUPAC name of 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one (CID 101441414) is 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one.
What is the SMILES notation for 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
The canonical SMILES for 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one is CN1C(=O)c2c(c3ccccc3n2C)Sc2ccccc21.
What is the InChIKey of 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
The InChIKey is XEINWEAQWBQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-18-12-8-4-3-7-11(12)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3.
What are the key properties of 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one has a molecular weight of 294.38 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one is sourced from PubChem (CID 101441414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).