(E)-N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula:C22H22N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C22H22N4O2S2
Smiles	Cc(cc1C)cc(C)c1NC(CSc1nnc(NC(/C=C/c2ccccc2)=O)s1)=O
InChI	InChI=1S/C22H22N4O2S2/c1-14-11-15(2)20(16(3)12-14)23-19(28)13-29-22-26-25-21(30-22)24-18(27)10-9-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,28)(H,24,25,27)
InChIK	RZLJHHPKFJZOCC-UHFFFAOYSA-N
TotalMolweight	438.575
Molweight	438.575
MonoisotopicMass	438.118416
CLogP	4.866
CLogS	-6.363
H Acceptors	6
H Donors	2
TotalSurfaceArea	339.19
Relative PSA	0.32073
PolarSurfaceArea	137.52
Druglikeness	1.8914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - (E)-N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

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