2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

Formula:C22H19N5O2S Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
MolecularFormula	C22H19N5O2S
Smiles	Nc1nnc(CC(N/N=C\c(cc2)ccc2OCc2cccc3ccccc23)=O)s1
InChI	InChI=1S/C22H19N5O2S/c23-22-27-26-21(30-22)12-20(28)25-24-13-15-8-10-18(11-9-15)29-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,13H,12,14H2,(H2,23,27)(H,25,28)
InChIK	PAYUNHJFMZZKPP-UHFFFAOYSA-N
TotalMolweight	417.492
Molweight	417.492
MonoisotopicMass	417.125945
CLogP	3.9079
CLogS	-5.916
H Acceptors	7
H Donors	2
TotalSurfaceArea	320.85
Relative PSA	0.32283
PolarSurfaceArea	130.73
Druglikeness	5.4976
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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