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

Formula:C20H18N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide
MolecularFormula	C20H18N6OS
Smiles	Nc1nnc(CC(N/N=C\c2cn(Cc3ccccc3)c3c2cccc3)=O)s1
InChI	InChI=1S/C20H18N6OS/c21-20-25-24-19(28-20)10-18(27)23-22-11-15-13-26(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,11,13H,10,12H2,(H2,21,25)(H,23,27)
InChIK	WXZKSNFUWAOUTP-UHFFFAOYSA-N
TotalMolweight	390.47
Molweight	390.47
MonoisotopicMass	390.126279
CLogP	2.8951
CLogS	-3.947
H Acceptors	7
H Donors	2
TotalSurfaceArea	300.05
Relative PSA	0.33478
PolarSurfaceArea	126.43
Druglikeness	7.331
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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