2-(1H-Indazol-1-yl)-1,3-benzothiazole
Basic information
- CAS
374775-24-3- Standard SMILES
c1ccc2c(c1)cnn2-c1nc2ccccc2s1- InChIKey
PUBYFYQQNABUII-UHFFFAOYSA-N- Molecular formula
- C14H9N3S
- Average molar mass
- 251.31 g/mol
- Monoisotopic mass
- 251.05171847
Names & identifiers
- Preferred name
- 2-(1H-Indazol-1-yl)-1,3-benzothiazole
- IUPAC
- 2-indazol-1-yl-1,3-benzothiazole
Names & synonyms
374775-24-32-(1H-Indazol-1-yl)-1,3-benzothiazoleDTXSID90579255RefChem:249930DTXCID105300202-(1-indazolyl)-benzothiazole
Database identifiers
- CAS
374775-24-3- PubChem CID
- 15901546
- DTXSID
DTXSID90579255
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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