1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

Formula:C16H12N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C16H12N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccccc2)=O)c1-c1cccs1
InChI	InChI=1S/C16H12N8O2S/c17-14-15(22-26-21-14)24-13(11-7-4-8-27-11)12(19-23-24)16(25)20-18-9-10-5-2-1-3-6-10/h1-9H,(H2,17,21)(H,20,25)
InChIK	DOANPVREWCPYSP-UHFFFAOYSA-N
TotalMolweight	380.391
Molweight	380.391
MonoisotopicMass	380.080392
CLogP	3.4691
CLogS	-3.127
H Acceptors	10
H Donors	2
TotalSurfaceArea	284.9
Relative PSA	0.47912
PolarSurfaceArea	165.35
Druglikeness	3.506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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