N'-hydroxy-4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzenecarboximidamide

Formula:C16H11N4OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-hydroxy-4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzenecarboximidamide is a drug-like molecule.

MolNameN'-hydroxy-4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]benzenecarboximidamide
MolecularFormulaC16H11N4OF3S
SmilesN/C(/c(cc1)ccc1-c1csc(-c2c(C(F)(F)F)ccnc2)n1)=N/O
InChIInChI=1S/C16H11F3N4OS/c17-16(18,19)12-5-6-21-7-11(12)15-22-13(8-25-15)9-1-3-10(4-2-9)14(20)23-24/h1-8,24H,(H2,20,23)
InChIKHPYSHVSBKJDCLO-UHFFFAOYSA-N
TotalMolweight364.35
Molweight364.35
MonoisotopicMass364.060565
CLogP3.621
CLogS-4.168
H Acceptors5
H Donors2
TotalSurfaceArea253.54
Relative PSA0.32413
PolarSurfaceArea112.63
Druglikeness-5.129
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.56
Fragments1
Non HAtoms25
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms4
Aromatic Nitrogens2
StereoCon

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