thieno[3,2-e][1,4]diazepin-5-one

C7H4N2OS — CID 70558090

IUPACthieno[3,2-e][1,4]diazepin-5-one
SMILESO=c1nccnc2ccsc12
InChIInChI=1S/C7H4N2OS/c10-7-6-5(1-4-11-6)8-2-3-9-7/h1-4H
InChIKeyCFOYKCKVKLRFOU-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.05
Rot. Bonds

About thieno[3,2-e][1,4]diazepin-5-one

thieno[3,2-e][1,4]diazepin-5-one (PubChem CID 70558090) has the molecular formula C7H4N2OS and a molecular weight of 164.19 g/mol. Its IUPAC name is thieno[3,2-e][1,4]diazepin-5-one.

Molecular Properties

Compound Namethieno[3,2-e][1,4]diazepin-5-one
PubChem CID70558090
Molecular FormulaC7H4N2OS
Molecular Weight164.19 g/mol
Exact Mass164.00
IUPAC Namethieno[3,2-e][1,4]diazepin-5-one
SMILESO=c1nccnc2ccsc12
InChIInChI=1S/C7H4N2OS/c10-7-6-5(1-4-11-6)8-2-3-9-7/h1-4H
InChIKeyCFOYKCKVKLRFOU-UHFFFAOYSA-N
XLogP1.05
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-e][1,4]diazepin-5-one?
The IUPAC name of thieno[3,2-e][1,4]diazepin-5-one (CID 70558090) is thieno[3,2-e][1,4]diazepin-5-one.
What is the SMILES notation for thieno[3,2-e][1,4]diazepin-5-one?
The canonical SMILES for thieno[3,2-e][1,4]diazepin-5-one is O=c1nccnc2ccsc12.
What is the InChIKey of thieno[3,2-e][1,4]diazepin-5-one?
The InChIKey is CFOYKCKVKLRFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2OS/c10-7-6-5(1-4-11-6)8-2-3-9-7/h1-4H.
What are the key properties of thieno[3,2-e][1,4]diazepin-5-one?
thieno[3,2-e][1,4]diazepin-5-one has a molecular weight of 164.19 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-e][1,4]diazepin-5-one is sourced from PubChem (CID 70558090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).