1H-thieno[3,4-d]imidazole-2,4-dione

C5H2N2O2S — CID 21292269

IUPAC1H-thieno[3,4-d]imidazole-2,4-dione
SMILESO=C1N=C2C(=O)SC=C2N1
InChIInChI=1S/C5H2N2O2S/c8-4-3-2(1-10-4)6-5(9)7-3/h1H,(H,6,9)
InChIKeyFSFPGBWCDNRSIY-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.27
Rot. Bonds

About 1H-thieno[3,4-d]imidazole-2,4-dione

1H-thieno[3,4-d]imidazole-2,4-dione (PubChem CID 21292269) has the molecular formula C5H2N2O2S and a molecular weight of 154.15 g/mol. Its IUPAC name is 1H-thieno[3,4-d]imidazole-2,4-dione.

Molecular Properties

Compound Name1H-thieno[3,4-d]imidazole-2,4-dione
PubChem CID21292269
Molecular FormulaC5H2N2O2S
Molecular Weight154.15 g/mol
Exact Mass153.98
IUPAC Name1H-thieno[3,4-d]imidazole-2,4-dione
SMILESO=C1N=C2C(=O)SC=C2N1
InChIInChI=1S/C5H2N2O2S/c8-4-3-2(1-10-4)6-5(9)7-3/h1H,(H,6,9)
InChIKeyFSFPGBWCDNRSIY-UHFFFAOYSA-N
XLogP0.27
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-thieno[3,4-d]imidazole-2,4-dione?
The IUPAC name of 1H-thieno[3,4-d]imidazole-2,4-dione (CID 21292269) is 1H-thieno[3,4-d]imidazole-2,4-dione.
What is the SMILES notation for 1H-thieno[3,4-d]imidazole-2,4-dione?
The canonical SMILES for 1H-thieno[3,4-d]imidazole-2,4-dione is O=C1N=C2C(=O)SC=C2N1.
What is the InChIKey of 1H-thieno[3,4-d]imidazole-2,4-dione?
The InChIKey is FSFPGBWCDNRSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N2O2S/c8-4-3-2(1-10-4)6-5(9)7-3/h1H,(H,6,9).
What are the key properties of 1H-thieno[3,4-d]imidazole-2,4-dione?
1H-thieno[3,4-d]imidazole-2,4-dione has a molecular weight of 154.15 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thieno[3,4-d]imidazole-2,4-dione is sourced from PubChem (CID 21292269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).