1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane

C15H17NOSSi — CID 59787484

IUPAC1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane
SMILESCc1occ([Si](C)(C)c2nc3ccccc3s2)c1C
InChIInChI=1S/C15H17NOSSi/c1-10-11(2)17-9-14(10)19(3,4)15-16-12-7-5-6-8-13(12)18-15/h5-9H,1-4H3
InChIKeyDVSUDQSQYNUEID-UHFFFAOYSA-N
MW287.46 g/mol
LogP3.33
Rot. Bonds2

About 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane

1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane (PubChem CID 59787484) has the molecular formula C15H17NOSSi and a molecular weight of 287.46 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane
PubChem CID59787484
Molecular FormulaC15H17NOSSi
Molecular Weight287.46 g/mol
Exact Mass287.08
IUPAC Name1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane
SMILESCc1occ([Si](C)(C)c2nc3ccccc3s2)c1C
InChIInChI=1S/C15H17NOSSi/c1-10-11(2)17-9-14(10)19(3,4)15-16-12-7-5-6-8-13(12)18-15/h5-9H,1-4H3
InChIKeyDVSUDQSQYNUEID-UHFFFAOYSA-N
XLogP3.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane 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 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane?
The IUPAC name of 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane (CID 59787484) is 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane?
The canonical SMILES for 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane is Cc1occ([Si](C)(C)c2nc3ccccc3s2)c1C.
What is the InChIKey of 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane?
The InChIKey is DVSUDQSQYNUEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOSSi/c1-10-11(2)17-9-14(10)19(3,4)15-16-12-7-5-6-8-13(12)18-15/h5-9H,1-4H3.
What are the key properties of 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane?
1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane has a molecular weight of 287.46 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane is sourced from PubChem (CID 59787484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).