1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C6H4N2O2S — CID 19100709

IUPAC1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccsc2[nH]c1=O
InChIInChI=1S/C6H4N2O2S/c9-4-5(10)8-6-3(7-4)1-2-11-6/h1-2H,(H,7,9)(H,8,10)
InChIKeyWOQHXCRNXSUHIJ-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.28
Rot. Bonds

About 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100709) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100709
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccsc2[nH]c1=O
InChIInChI=1S/C6H4N2O2S/c9-4-5(10)8-6-3(7-4)1-2-11-6/h1-2H,(H,7,9)(H,8,10)
InChIKeyWOQHXCRNXSUHIJ-UHFFFAOYSA-N
XLogP0.28
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100709) is 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2ccsc2[nH]c1=O.
What is the InChIKey of 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is WOQHXCRNXSUHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-4-5(10)8-6-3(7-4)1-2-11-6/h1-2H,(H,7,9)(H,8,10).
What are the key properties of 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 168.18 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).