N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

Formula:C15H13N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is a drug-like molecule.

MolNameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
MolecularFormulaC15H13N3O2S2
SmilesCc(cc1)ccc1SCC(Nc1nnc(-c2ccco2)s1)=O
InChIInChI=1S/C15H13N3O2S2/c1-10-4-6-11(7-5-10)21-9-13(19)16-15-18-17-14(22-15)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKKGJORCJNBIQNMQ-UHFFFAOYSA-N
TotalMolweight331.419
Molweight331.419
MonoisotopicMass331.044917
CLogP3.2575
CLogS-3.868
H Acceptors5
H Donors1
TotalSurfaceArea248.65
Relative PSA0.39574
PolarSurfaceArea121.56
Druglikeness3.9637
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.68182
Fragments1
Non HAtoms22
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms3
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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