1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide

Formula:C20H15N9O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide
MolecularFormula	C20H15N9O2S2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccccc2)=O)c1CSc1nc(cccc2)c2s1
InChI	InChI=1S/C20H15N9O2S2/c21-17-18(27-31-26-17)29-14(11-32-20-23-13-8-4-5-9-15(13)33-20)16(24-28-29)19(30)25-22-10-12-6-2-1-3-7-12/h1-10H,11H2,(H2,21,26)(H,25,30)
InChIK	XVRHIIASBDKPDF-UHFFFAOYSA-N
TotalMolweight	477.532
Molweight	477.532
MonoisotopicMass	477.079011
CLogP	4.2127
CLogS	-4.717
H Acceptors	11
H Donors	2
TotalSurfaceArea	349.51
Relative PSA	0.47198
PolarSurfaceArea	203.54
Druglikeness	2.2679
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	6
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-benzylideneamino]triazole-4-carboxamide

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