pyrrolo[3,4-c][1,2]thiazole-4,6-dione

C5H2N2O2S — CID 67817113

IUPACpyrrolo[3,4-c][1,2]thiazole-4,6-dione
SMILESO=C1NC(=O)c2nscc21
InChIInChI=1S/C5H2N2O2S/c8-4-2-1-10-7-3(2)5(9)6-4/h1H,(H,6,8,9)
InChIKeyXUCBYAHOEVRGFD-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.03
Rot. Bonds

About pyrrolo[3,4-c][1,2]thiazole-4,6-dione

pyrrolo[3,4-c][1,2]thiazole-4,6-dione (PubChem CID 67817113) has the molecular formula C5H2N2O2S and a molecular weight of 154.15 g/mol. Its IUPAC name is pyrrolo[3,4-c][1,2]thiazole-4,6-dione.

Molecular Properties

Compound Namepyrrolo[3,4-c][1,2]thiazole-4,6-dione
PubChem CID67817113
Molecular FormulaC5H2N2O2S
Molecular Weight154.15 g/mol
Exact Mass153.98
IUPAC Namepyrrolo[3,4-c][1,2]thiazole-4,6-dione
SMILESO=C1NC(=O)c2nscc21
InChIInChI=1S/C5H2N2O2S/c8-4-2-1-10-7-3(2)5(9)6-4/h1H,(H,6,8,9)
InChIKeyXUCBYAHOEVRGFD-UHFFFAOYSA-N
XLogP0.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-c][1,2]thiazole-4,6-dione?
The IUPAC name of pyrrolo[3,4-c][1,2]thiazole-4,6-dione (CID 67817113) is pyrrolo[3,4-c][1,2]thiazole-4,6-dione.
What is the SMILES notation for pyrrolo[3,4-c][1,2]thiazole-4,6-dione?
The canonical SMILES for pyrrolo[3,4-c][1,2]thiazole-4,6-dione is O=C1NC(=O)c2nscc21.
What is the InChIKey of pyrrolo[3,4-c][1,2]thiazole-4,6-dione?
The InChIKey is XUCBYAHOEVRGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N2O2S/c8-4-2-1-10-7-3(2)5(9)6-4/h1H,(H,6,8,9).
What are the key properties of pyrrolo[3,4-c][1,2]thiazole-4,6-dione?
pyrrolo[3,4-c][1,2]thiazole-4,6-dione has a molecular weight of 154.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-c][1,2]thiazole-4,6-dione is sourced from PubChem (CID 67817113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).