(E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

Formula:C16H12N3O2FS2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C16H12N3O2FS2
Smiles	O=C(/C=C/c1ccco1)Nc1nnc(SCc(cccc2)c2F)s1
InChI	InChI=1S/C16H12FN3O2S2/c17-13-6-2-1-4-11(13)10-23-16-20-19-15(24-16)18-14(21)8-7-12-5-3-9-22-12/h1-9H,10H2,(H,18,19,21)
InChIK	ZYVVQLJORXHDPH-UHFFFAOYSA-N
TotalMolweight	361.42
Molweight	361.42
MonoisotopicMass	361.035495
CLogP	3.7249
CLogS	-5.702
H Acceptors	5
H Donors	1
TotalSurfaceArea	269.24
Relative PSA	0.36547
PolarSurfaceArea	121.56
Druglikeness	0.53522
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

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