5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-amine

Formula:C11H9N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-amine is a drug-like molecule.

MolName	5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-amine
MolecularFormula	C11H9N3O2S
Smiles	Nc1nnc(/C=C/c(cc2)cc3c2OCO3)s1
InChI	InChI=1S/C11H9N3O2S/c12-11-14-13-10(17-11)4-2-7-1-3-8-9(5-7)16-6-15-8/h1-5H,6H2,(H2,12,14)
InChIK	NYEPGGARNVUFBD-UHFFFAOYSA-N
TotalMolweight	247.277
Molweight	247.277
MonoisotopicMass	247.041547
CLogP	2.1437
CLogS	-3.746
H Acceptors	5
H Donors	1
TotalSurfaceArea	181.76
Relative PSA	0.42677
PolarSurfaceArea	98.5
Druglikeness	1.943
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Aromatic Nitrogens	2
StereoCon

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