9H-thieno[2,3-i][1,5]benzodiazepine

C11H8N2S — CID 68945229

IUPAC9H-thieno[2,3-i][1,5]benzodiazepine
SMILESC1=CN=c2c(ccc3c2=CCS3)N=C1
InChIInChI=1S/C11H8N2S/c1-5-12-9-2-3-10-8(4-7-14-10)11(9)13-6-1/h1-6H,7H2
InChIKeyYEBHOSNNUQLOLY-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.42
Rot. Bonds

About 9H-thieno[2,3-i][1,5]benzodiazepine

9H-thieno[2,3-i][1,5]benzodiazepine (PubChem CID 68945229) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 9H-thieno[2,3-i][1,5]benzodiazepine.

Molecular Properties

Compound Name9H-thieno[2,3-i][1,5]benzodiazepine
PubChem CID68945229
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name9H-thieno[2,3-i][1,5]benzodiazepine
SMILESC1=CN=c2c(ccc3c2=CCS3)N=C1
InChIInChI=1S/C11H8N2S/c1-5-12-9-2-3-10-8(4-7-14-10)11(9)13-6-1/h1-6H,7H2
InChIKeyYEBHOSNNUQLOLY-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-thieno[2,3-i][1,5]benzodiazepine?
The IUPAC name of 9H-thieno[2,3-i][1,5]benzodiazepine (CID 68945229) is 9H-thieno[2,3-i][1,5]benzodiazepine.
What is the SMILES notation for 9H-thieno[2,3-i][1,5]benzodiazepine?
The canonical SMILES for 9H-thieno[2,3-i][1,5]benzodiazepine is C1=CN=c2c(ccc3c2=CCS3)N=C1.
What is the InChIKey of 9H-thieno[2,3-i][1,5]benzodiazepine?
The InChIKey is YEBHOSNNUQLOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-5-12-9-2-3-10-8(4-7-14-10)11(9)13-6-1/h1-6H,7H2.
What are the key properties of 9H-thieno[2,3-i][1,5]benzodiazepine?
9H-thieno[2,3-i][1,5]benzodiazepine has a molecular weight of 200.27 g/mol, XLogP of 1.42, 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][1,5]benzodiazepine is sourced from PubChem (CID 68945229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).