(5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

Formula:C13H8N3OBrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
MolecularFormulaC13H8N3OBrS2
SmilesN=C(N(C1=O)c2nccs2)S/C1=C\c(cc1)ccc1Br
InChIInChI=1S/C13H8BrN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)17(12(15)20-10)13-16-5-6-19-13/h1-7,15H
InChIKSKOWIDIIIHFYKG-UHFFFAOYSA-N
TotalMolweight366.263
Molweight366.263
MonoisotopicMass364.929213
CLogP3.189
CLogS-4.379
H Acceptors4
H Donors1
TotalSurfaceArea223.41
Relative PSA0.36261
PolarSurfaceArea110.59
Druglikeness2.2274
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms20
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoCon

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