3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate

C5H5NOSSe2-2 — CID 139121533

IUPAC3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate
SMILESCCn1c([Se-])c([Se-])sc1=O
InChIInChI=1S/C5H7NOSSe2/c1-2-6-3(9)4(10)8-5(6)7/h9-10H,2H2,1H3/p-2
InChIKeyJRBISKKBSCHJQU-UHFFFAOYSA-L
MW285.09 g/mol
LogP-1.48
Rot. Bonds1

About 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate

3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate (PubChem CID 139121533) has the molecular formula C5H5NOSSe2-2 and a molecular weight of 285.09 g/mol. Its IUPAC name is 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate.

Molecular Properties

Compound Name3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate
PubChem CID139121533
Molecular FormulaC5H5NOSSe2-2
Molecular Weight285.09 g/mol
Exact Mass286.84
IUPAC Name3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate
SMILESCCn1c([Se-])c([Se-])sc1=O
InChIInChI=1S/C5H7NOSSe2/c1-2-6-3(9)4(10)8-5(6)7/h9-10H,2H2,1H3/p-2
InChIKeyJRBISKKBSCHJQU-UHFFFAOYSA-L
XLogP-1.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate with MolForge

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

Launch Full Analysis

Related Compounds

3-Ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one
CID 102300959

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate?
The IUPAC name of 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate (CID 139121533) is 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate.
What is the SMILES notation for 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate?
The canonical SMILES for 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate is CCn1c([Se-])c([Se-])sc1=O.
What is the InChIKey of 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate?
The InChIKey is JRBISKKBSCHJQU-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H7NOSSe2/c1-2-6-3(9)4(10)8-5(6)7/h9-10H,2H2,1H3/p-2.
What are the key properties of 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate?
3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate has a molecular weight of 285.09 g/mol, XLogP of -1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-1,3-thiazole-4,5-diselenolate is sourced from PubChem (CID 139121533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).