6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione

C10H5N3O3S2 — CID 3780727

IUPAC6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CSC(=S)N1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C10H5N3O3S2/c14-6-4-18-10(17)12(6)13-8(15)5-2-1-3-11-7(5)9(13)16/h1-3H,4H2
InChIKeyOBWAAYKORWQSCL-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.45
Rot. Bonds1

About 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 3780727) has the molecular formula C10H5N3O3S2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID3780727
Molecular FormulaC10H5N3O3S2
Molecular Weight279.30 g/mol
Exact Mass278.98
IUPAC Name6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CSC(=S)N1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C10H5N3O3S2/c14-6-4-18-10(17)12(6)13-8(15)5-2-1-3-11-7(5)9(13)16/h1-3H,4H2
InChIKeyOBWAAYKORWQSCL-UHFFFAOYSA-N
XLogP0.45
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 3780727) is 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1CSC(=S)N1N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is OBWAAYKORWQSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3S2/c14-6-4-18-10(17)12(6)13-8(15)5-2-1-3-11-7(5)9(13)16/h1-3H,4H2.
What are the key properties of 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 279.30 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 3780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).