Basic information
- Standard SMILES
CC1=NN(c2nc3ccccc3s2)C(=O)C1- InChIKey
YUHMNVVMEMQSHG-UHFFFAOYSA-N- Molecular formula
- C11H9N3OS
- Average molar mass
- 231.28 g/mol
Names & identifiers
- Preferred name
- Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
- IUPAC
- 2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one
Names & synonyms
17304-62-0Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-2-(1,3-Benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one1-(Benzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5(4H)-one2-(Benzo[d]thiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-oneMaybridge4_001908Cambridge id 5108305Oprea1_476809Oprea1_813895CBDivE_009477SCHEMBL186009
Show more names
HMS1526G16STL582663AKOS0006239771-(2-Benzothiazolyl)-3-methyl-5-pyrazoloneCS-0336857ST507294631-benzothiazol-2-yl-3-methyl-2-pyrazolin-5-one2-(1,3-Benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one #
Database identifiers
- PubChem CID
- 459449
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Related reactions
3 records
Compound notes
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