2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one

C10H6N2OSSe — CID 13277183

IUPAC2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1nccs1
InChIInChI=1S/C10H6N2OSSe/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
InChIKeyUJOWPGFRUZFDTE-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.50
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one

2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one (PubChem CID 13277183) has the molecular formula C10H6N2OSSe and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one
PubChem CID13277183
Molecular FormulaC10H6N2OSSe
Molecular Weight281.20 g/mol
Exact Mass281.94
IUPAC Name2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1nccs1
InChIInChI=1S/C10H6N2OSSe/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
InChIKeyUJOWPGFRUZFDTE-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one (CID 13277183) is 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1-c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one?
The InChIKey is UJOWPGFRUZFDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OSSe/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H.
What are the key properties of 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one?
2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one has a molecular weight of 281.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 13277183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).