6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one

C15H10N2OS — CID 18422308

IUPAC6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one
SMILESO=C1Nc2ccccc2Nc2sc3ccccc3c21
InChIInChI=1S/C15H10N2OS/c18-14-13-9-5-1-4-8-12(9)19-15(13)17-11-7-3-2-6-10(11)16-14/h1-8,17H,(H,16,18)
InChIKeyVWJVNPOQPKSZPP-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.21
Rot. Bonds

About 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one

6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one (PubChem CID 18422308) has the molecular formula C15H10N2OS and a molecular weight of 266.32 g/mol. Its IUPAC name is 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one.

Molecular Properties

Compound Name6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one
PubChem CID18422308
Molecular FormulaC15H10N2OS
Molecular Weight266.32 g/mol
Exact Mass266.05
IUPAC Name6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one
SMILESO=C1Nc2ccccc2Nc2sc3ccccc3c21
InChIInChI=1S/C15H10N2OS/c18-14-13-9-5-1-4-8-12(9)19-15(13)17-11-7-3-2-6-10(11)16-14/h1-8,17H,(H,16,18)
InChIKeyVWJVNPOQPKSZPP-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one?
The IUPAC name of 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one (CID 18422308) is 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one.
What is the SMILES notation for 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one?
The canonical SMILES for 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one is O=C1Nc2ccccc2Nc2sc3ccccc3c21.
What is the InChIKey of 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one?
The InChIKey is VWJVNPOQPKSZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c18-14-13-9-5-1-4-8-12(9)19-15(13)17-11-7-3-2-6-10(11)16-14/h1-8,17H,(H,16,18).
What are the key properties of 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one?
6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one has a molecular weight of 266.32 g/mol, XLogP of 4.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydro-[1]benzothiolo[3,2-c][1,5]benzodiazepin-12-one is sourced from PubChem (CID 18422308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).