N'-(2,5-difluorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenecarboximidamide

Formula:C16H13N3O2F2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-(2,5-difluorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenecarboximidamide is a drug-like molecule.

MolNameN'-(2,5-difluorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenecarboximidamide
MolecularFormulaC16H13N3O2F2S2
SmilesO=S(c(cc(cc1)F)c1F)(/N=C(\c1ccccc1)/NC1=NCCS1)=O
InChIInChI=1S/C16H13F2N3O2S2/c17-12-6-7-13(18)14(10-12)25(22,23)21-15(11-4-2-1-3-5-11)20-16-19-8-9-24-16/h1-7,10H,8-9H2,(H,19,20,21)
InChIKTYVLTWWROPXVKF-UHFFFAOYSA-N
TotalMolweight381.426
Molweight381.426
MonoisotopicMass381.041723
CLogP2.707
CLogS-4.565
H Acceptors5
H Donors1
TotalSurfaceArea263.21
Relative PSA0.30603
PolarSurfaceArea104.57
Druglikeness-0.4458
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44
Fragments1
Non HAtoms25
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms3
BasicNitrogens1
StereoCon

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