Menu

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]triazole-4-carboxamide

Formula:C18H17N9O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]triazole-4-carboxamide
MolecularFormulaC18H17N9O2S2
SmilesNc1nonc1-n1nnc(C(N/N=C\C=C\c2ccccc2)=O)c1CSC1=NCCS1
InChIInChI=1S/C18H17N9O2S2/c19-15-16(25-29-24-15)27-13(11-31-18-20-9-10-30-18)14(22-26-27)17(28)23-21-8-4-7-12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,19,24)(H,23,28)
InChIKVNHAENMCKQOXQN-UHFFFAOYSA-N
TotalMolweight455.526
Molweight455.526
MonoisotopicMass455.094661
CLogP3.1035
CLogS-3.715
H Acceptors11
H Donors2
TotalSurfaceArea341.43
Relative PSA0.47632
PolarSurfaceArea200.07
Druglikeness2.6824
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.54839
Fragments1
Non HAtoms31
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms5
Symmetricatoms2
Aromatic Nitrogens5
StereoCon

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]triazole-4-carboxamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments