9H-thieno[2,3-i][1,2]benzodiazepine

C11H8N2S — CID 87064713

IUPAC9H-thieno[2,3-i][1,2]benzodiazepine
SMILESC1=Cc2ccc3c(c2=NN=C1)=CCS3
InChIInChI=1S/C11H8N2S/c1-2-8-3-4-10-9(5-7-14-10)11(8)13-12-6-1/h1-6H,7H2
InChIKeyFBQWNZHNXNQNKD-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.21
Rot. Bonds

About 9H-thieno[2,3-i][1,2]benzodiazepine

9H-thieno[2,3-i][1,2]benzodiazepine (PubChem CID 87064713) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 9H-thieno[2,3-i][1,2]benzodiazepine.

Molecular Properties

Compound Name9H-thieno[2,3-i][1,2]benzodiazepine
PubChem CID87064713
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name9H-thieno[2,3-i][1,2]benzodiazepine
SMILESC1=Cc2ccc3c(c2=NN=C1)=CCS3
InChIInChI=1S/C11H8N2S/c1-2-8-3-4-10-9(5-7-14-10)11(8)13-12-6-1/h1-6H,7H2
InChIKeyFBQWNZHNXNQNKD-UHFFFAOYSA-N
XLogP1.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}

Analyze 9H-thieno[2,3-i][1,2]benzodiazepine 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 9H-thieno[2,3-i][1,2]benzodiazepine?
The IUPAC name of 9H-thieno[2,3-i][1,2]benzodiazepine (CID 87064713) is 9H-thieno[2,3-i][1,2]benzodiazepine.
What is the SMILES notation for 9H-thieno[2,3-i][1,2]benzodiazepine?
The canonical SMILES for 9H-thieno[2,3-i][1,2]benzodiazepine is C1=Cc2ccc3c(c2=NN=C1)=CCS3.
What is the InChIKey of 9H-thieno[2,3-i][1,2]benzodiazepine?
The InChIKey is FBQWNZHNXNQNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-8-3-4-10-9(5-7-14-10)11(8)13-12-6-1/h1-6H,7H2.
What are the key properties of 9H-thieno[2,3-i][1,2]benzodiazepine?
9H-thieno[2,3-i][1,2]benzodiazepine has a molecular weight of 200.27 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-thieno[2,3-i][1,2]benzodiazepine is sourced from PubChem (CID 87064713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).