Menu

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide

Formula:C18H18N10O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide
MolecularFormulaC18H18N10O4S2
SmilesNC(COc1cccc(/C=N\NC(c2c(CSC3=NCCS3)n(-c3nonc3N)nn2)=O)c1)=O
InChIInChI=1S/C18H18N10O4S2/c19-13(29)8-31-11-3-1-2-10(6-11)7-22-24-17(30)14-12(9-34-18-21-4-5-33-18)28(27-23-14)16-15(20)25-32-26-16/h1-3,6-7H,4-5,8-9H2,(H2,19,29)(H2,20,25)(H,24,30)
InChIKUBURGNRBSVPHHC-UHFFFAOYSA-N
TotalMolweight502.539
Molweight502.539
MonoisotopicMass502.09539
CLogP1.7474
CLogS-3.292
H Acceptors14
H Donors3
TotalSurfaceArea364.96
Relative PSA0.55058
PolarSurfaceArea252.39
Druglikeness2.9283
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms7
Amides1
Aromatic Nitrogens5
StereoCon

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


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