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Basic information
- Standard SMILES
COc1cc(-c2nccs2)ccc1B1OC(C)(C)C(C)(C)O1- InChIKey
IWTOKJFHAHEIQE-UHFFFAOYSA-N- Molecular formula
- C16H20BNO3S
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 317.1256948
Names & identifiers
- Preferred name
- 2-(3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiazole
- IUPAC
- 2-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole
Names & synonyms
SCHEMBL15011554IWTOKJFHAHEIQE-UHFFFAOYSA-N2-(3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiazole
Database identifiers
- PubChem CID
- 86687696
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
1 records
Compound notes
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