AC1NY0BD

2-(1,3-benzothiazol-2-yl)-4-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one

Also Known As: BAS 01257345|(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one|(E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3-hydroxypropyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one|(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]ethylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one|(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-hydroxypropylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one|2-(1,3-benzothiazol-2-yl)-4-[1-(3-hydroxypropylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one|2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)imino]ethyl}-5-(trifluoromethyl)-1H-pyrazol-3-one

Molecular Formula	C16H15F3N4O2S
Molecular Weight	384.0868 g/mol
LogP	2.9855
Topological Polar Surface Area	83.27 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	384.0868
Monoisotopic Mass	384.0868
Heavy Atoms	26
Complexity	983.5839

Chemical Identifiers

CAS Number	337341-16-9
SMILES	CC(=NCCCO)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F