5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one

C11H8N2OS — CID 12521641

IUPAC5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
SMILESO=C1Nc2ccccc2Nc2cscc21
InChIInChI=1S/C11H8N2OS/c14-11-7-5-15-6-10(7)12-8-3-1-2-4-9(8)13-11/h1-6,12H,(H,13,14)
InChIKeyNORKKSJFFNKARG-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.06
Rot. Bonds

About 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one

5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 12521641) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
PubChem CID12521641
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
SMILESO=C1Nc2ccccc2Nc2cscc21
InChIInChI=1S/C11H8N2OS/c14-11-7-5-15-6-10(7)12-8-3-1-2-4-9(8)13-11/h1-6,12H,(H,13,14)
InChIKeyNORKKSJFFNKARG-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one (CID 12521641) is 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one is O=C1Nc2ccccc2Nc2cscc21.
What is the InChIKey of 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is NORKKSJFFNKARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c14-11-7-5-15-6-10(7)12-8-3-1-2-4-9(8)13-11/h1-6,12H,(H,13,14).
What are the key properties of 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 216.27 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 12521641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).