(E)-3-phenyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Formula:C19H17N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-phenyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C19H17N3OS
Smiles	O=C(/C=C/c1ccccc1)Nc1nnc(CCc2ccccc2)s1
InChI	InChI=1S/C19H17N3OS/c23-17(13-11-15-7-3-1-4-8-15)20-19-22-21-18(24-19)14-12-16-9-5-2-6-10-16/h1-11,13H,12,14H2,(H,20,22,23)
InChIK	UBQUNRWUDKXACH-UHFFFAOYSA-N
TotalMolweight	335.43
Molweight	335.43
MonoisotopicMass	335.109232
CLogP	4.1807
CLogS	-4.343
H Acceptors	4
H Donors	1
TotalSurfaceArea	269.47
Relative PSA	0.24789
PolarSurfaceArea	83.12
Druglikeness	1.5616
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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