5-Amino-2-(1,3-benzothiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Basic information
- CAS
54178-30-2- Standard SMILES
NC1=NN(c2nc3ccccc3s2)C(=O)C1- InChIKey
BVYOKVYYCMIAOY-UHFFFAOYSA-N- Molecular formula
- C10H8N4OS
- Average molar mass
- 232.26 g/mol
- Monoisotopic mass
- 232.04188206
Names & identifiers
- Preferred name
- 5-Amino-2-(1,3-benzothiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-amino-2-(1,3-benzothiazol-2-yl)-4H-pyrazol-3-one
Names & synonyms
54178-30-23-Amino-1-(benzo[d]thiazol-2-yl)-1H-pyrazol-5(4H)-oneDTXSID106293025-Amino-2-(1,3-benzothiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
54178-30-2- PubChem CID
- 22979697
- DTXSID
DTXSID10629302
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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