Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-

HCID 459449

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

Related reactions

3 records

Compound notes

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