Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
Basic information
- CAS
43193-11-9- Standard SMILES
Cc1cc(-c2nc3ccccc3s2)n(-c2ccccc2)n1- InChIKey
JRNVYQSQPKFISZ-UHFFFAOYSA-N- Molecular formula
- C17H13N3S
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.0830186
Names & identifiers
- Preferred name
- Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
- IUPAC
- 2-(5-methyl-2-phenylpyrazol-3-yl)-1,3-benzothiazole
Names & synonyms
Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-43193-11-92-(3'-Methyl-1'-phenylpyrazol-5'-yl)benzothiazole2-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)benzothiazoleDTXSID70195775RefChem:328187DTXCID101182662-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1,3-benzothiazole
Database identifiers
- CAS
43193-11-9- PubChem CID
- 206237
- DTXSID
DTXSID70195775
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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