1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(Z)-thiophen-3-ylmethylideneamino]triazole-4-carboxamide

Formula:C17H14N8O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(Z)-thiophen-3-ylmethylideneamino]triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(Z)-thiophen-3-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C17H14N8O2S2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cscc2)=O)c1CSc1ccccc1
InChI	InChI=1S/C17H14N8O2S2/c18-15-16(23-27-22-15)25-13(10-29-12-4-2-1-3-5-12)14(20-24-25)17(26)21-19-8-11-6-7-28-9-11/h1-9H,10H2,(H2,18,22)(H,21,26)
InChIK	TYFATLKTBXADLJ-UHFFFAOYSA-N
TotalMolweight	426.484
Molweight	426.484
MonoisotopicMass	426.068112
CLogP	3.4952
CLogS	-3.781
H Acceptors	10
H Donors	2
TotalSurfaceArea	316.15
Relative PSA	0.48708
PolarSurfaceArea	190.65
Druglikeness	2.423
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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