(E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

Formula:C17H13N2O2FS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName(E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
MolecularFormulaC17H13N2O2FS
SmilesO=C(/C=C/c1ccco1)Nc1ncc(Cc(cccc2)c2F)s1
InChIInChI=1S/C17H13FN2O2S/c18-15-6-2-1-4-12(15)10-14-11-19-17(23-14)20-16(21)8-7-13-5-3-9-22-13/h1-9,11H,10H2,(H,19,20,21)
InChIKVMSCCKSBSCLBHU-UHFFFAOYSA-N
TotalMolweight328.366
Molweight328.366
MonoisotopicMass328.068176
CLogP3.9492
CLogS-5.048
H Acceptors4
H Donors1
TotalSurfaceArea252.99
Relative PSA0.27645
PolarSurfaceArea83.37
Druglikeness-0.089441
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! thiazol-2-ylamine
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms1
Amides1
Aromatic Nitrogens1
StereoCon

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