3H-thieno[3,4-b][1,5]benzodiazepine

C11H8N2S — CID 70528379

IUPAC3H-thieno[3,4-b][1,5]benzodiazepine
SMILESC1=C2CSC=C2N=c2ccccc2=N1
InChIInChI=1S/C11H8N2S/c1-2-4-10-9(3-1)12-5-8-6-14-7-11(8)13-10/h1-5,7H,6H2
InChIKeyVYCOLKDMMRNXKM-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.41
Rot. Bonds

About 3H-thieno[3,4-b][1,5]benzodiazepine

3H-thieno[3,4-b][1,5]benzodiazepine (PubChem CID 70528379) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 3H-thieno[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name3H-thieno[3,4-b][1,5]benzodiazepine
PubChem CID70528379
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name3H-thieno[3,4-b][1,5]benzodiazepine
SMILESC1=C2CSC=C2N=c2ccccc2=N1
InChIInChI=1S/C11H8N2S/c1-2-4-10-9(3-1)12-5-8-6-14-7-11(8)13-10/h1-5,7H,6H2
InChIKeyVYCOLKDMMRNXKM-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-thieno[3,4-b][1,5]benzodiazepine?
The IUPAC name of 3H-thieno[3,4-b][1,5]benzodiazepine (CID 70528379) is 3H-thieno[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 3H-thieno[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 3H-thieno[3,4-b][1,5]benzodiazepine is C1=C2CSC=C2N=c2ccccc2=N1.
What is the InChIKey of 3H-thieno[3,4-b][1,5]benzodiazepine?
The InChIKey is VYCOLKDMMRNXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-4-10-9(3-1)12-5-8-6-14-7-11(8)13-10/h1-5,7H,6H2.
What are the key properties of 3H-thieno[3,4-b][1,5]benzodiazepine?
3H-thieno[3,4-b][1,5]benzodiazepine has a molecular weight of 200.27 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-thieno[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 70528379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).