(E)-3-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one

Formula:C15H13N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C15H13N3OS2
Smiles	NC(SC1c2ccccc2)=NN1/C=C/C(c1cccs1)=O
InChI	InChI=1S/C15H13N3OS2/c16-15-17-18(9-8-12(19)13-7-4-10-20-13)14(21-15)11-5-2-1-3-6-11/h1-10,14H,(H2,16,17)/t14-/m0/s1
InChIK	ODSKYCCEHGRKCU-AWEZNQCLSA-N
TotalMolweight	315.42
Molweight	315.42
MonoisotopicMass	315.050002
CLogP	2.0661
CLogS	-4.424
H Acceptors	4
H Donors	1
TotalSurfaceArea	231.49
Relative PSA	0.35086
PolarSurfaceArea	112.23
Druglikeness	5.0289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
StereoCon	racemate

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