4,5-dihydrothieno[2,3-c]pyrrol-6-one

C6H5NOS — CID 20542805

IUPAC4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NCc2ccsc21
InChIInChI=1S/C6H5NOS/c8-6-5-4(3-7-6)1-2-9-5/h1-2H,3H2,(H,7,8)
InChIKeyGIQBMQFTAUFJAW-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.99
Rot. Bonds

About 4,5-dihydrothieno[2,3-c]pyrrol-6-one

4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 20542805) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is 4,5-dihydrothieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name4,5-dihydrothieno[2,3-c]pyrrol-6-one
PubChem CID20542805
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Name4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NCc2ccsc21
InChIInChI=1S/C6H5NOS/c8-6-5-4(3-7-6)1-2-9-5/h1-2H,3H2,(H,7,8)
InChIKeyGIQBMQFTAUFJAW-UHFFFAOYSA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The IUPAC name of 4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 20542805) is 4,5-dihydrothieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 4,5-dihydrothieno[2,3-c]pyrrol-6-one is O=C1NCc2ccsc21.
What is the InChIKey of 4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The InChIKey is GIQBMQFTAUFJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS/c8-6-5-4(3-7-6)1-2-9-5/h1-2H,3H2,(H,7,8).
What are the key properties of 4,5-dihydrothieno[2,3-c]pyrrol-6-one?
4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 139.18 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 20542805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).