Benzothiazole, 2-(4-aminopyrazol-1-yl)-
Basic information
- CAS
28469-10-5- Standard SMILES
Nc1cnn(-c2nc3ccccc3s2)c1- InChIKey
FHXOZUQFLXSUIL-UHFFFAOYSA-N- Molecular formula
- C10H8N4S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.04696745
Names & identifiers
- Preferred name
- Benzothiazole, 2-(4-aminopyrazol-1-yl)-
- IUPAC
- 1-(1,3-benzothiazol-2-yl)pyrazol-4-amine
- English name
- Benzothiazole, 2-(4-aminopyrazol-1-yl)- (8CI)
- Molecular formula
- C10H8N4S
- Molecular weight
- 216.26232
Names & synonyms
Benzothiazole, 2-(4-aminopyrazol-1-yl)-28469-10-5BRN 09881962-(4-Aminopyrazol-1-yl)benzothiazoleDTXSID50182704RefChem:328190DTXCID50105195AKOS010422225DB-2747281-(1,3-benzothiazol-2-yl)-1H-pyrazol-4-amineBenzothiazole, 2-(4-aminopyrazol-1-yl)- (8CI)
Database identifiers
- CAS
28469-10-5- PubChem CID
- 206702
- DTXSID
DTXSID50182704
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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