N'-[(Z)-(3-fluorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide

Formula:C17H12N5O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(Z)-(3-fluorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is a drug-like molecule.

MolNameN'-[(Z)-(3-fluorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
MolecularFormulaC17H12N5O2FS
SmilesO=C(C(N/N=C\c1cc(F)ccc1)=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H12FN5O2S/c18-13-8-4-5-11(9-13)10-19-21-15(25)14(24)20-17-23-22-16(26-17)12-6-2-1-3-7-12/h1-10H,(H,21,25)(H,20,23,24)
InChIKHVABZTBNZQPOHY-UHFFFAOYSA-N
TotalMolweight369.379
Molweight369.379
MonoisotopicMass369.069573
CLogP2.9127
CLogS-4.343
H Acceptors7
H Donors2
TotalSurfaceArea275.77
Relative PSA0.37281
PolarSurfaceArea124.58
Druglikeness3.7811
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.65385
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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