(5E)-5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Formula:C11H12N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.

MolName(5E)-5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
MolecularFormulaC11H12N4O2S2
SmilesO=C(/C(/N1)=C\c2cnc(N3CCOCC3)s2)NC1=S
InChIInChI=1S/C11H12N4O2S2/c16-9-8(13-10(18)14-9)5-7-6-12-11(19-7)15-1-3-17-4-2-15/h5-6H,1-4H2,(H2,13,14,16,18)
InChIKVMCNYPWVHVRVIN-UHFFFAOYSA-N
TotalMolweight296.374
Molweight296.374
MonoisotopicMass296.040166
CLogP0.6053
CLogS-2.766
H Acceptors6
H Donors2
TotalSurfaceArea214.39
Relative PSA0.50767
PolarSurfaceArea126.82
Druglikeness4.2927
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.63158
Fragments1
Non HAtoms19
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms5
Sp3Atoms6
Symmetricatoms2
Amides1
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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