1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide

Formula:C16H13N9O2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C16H13N9O2Cl2S2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(c(Cl)ccc2)c2Cl)=O)c1CSC1=NCCS1
InChI	InChI=1S/C16H13Cl2N9O2S2/c17-9-2-1-3-10(18)8(9)6-21-23-15(28)12-11(7-31-16-20-4-5-30-16)27(26-22-12)14-13(19)24-29-25-14/h1-3,6H,4-5,7H2,(H2,19,24)(H,23,28)
InChIK	STZAFUIRSTXOQR-UHFFFAOYSA-N
TotalMolweight	498.378
Molweight	498.378
MonoisotopicMass	497.001065
CLogP	4.2972
CLogS	-4.895
H Acceptors	11
H Donors	2
TotalSurfaceArea	345.77
Relative PSA	0.47034
PolarSurfaceArea	200.07
Druglikeness	2.6875
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	3
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carboxamide

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