(2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-N-(4-chlorophenyl)acetamide

Formula:C11H8N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-N-(4-chlorophenyl)acetamide is a drug-like molecule.

MolName(2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-N-(4-chlorophenyl)acetamide
MolecularFormulaC11H8N3O2ClS
SmilesNC(S/C1=C\C(Nc(cc2)ccc2Cl)=O)=NC1=O
InChIInChI=1S/C11H8ClN3O2S/c12-6-1-3-7(4-2-6)14-9(16)5-8-10(17)15-11(13)18-8/h1-5H,(H,14,16)(H2,13,15,17)
InChIKIJCCSQBYFRKROB-UHFFFAOYSA-N
TotalMolweight281.723
Molweight281.723
MonoisotopicMass281.002574
CLogP0.8737
CLogS-3.771
H Acceptors5
H Donors2
TotalSurfaceArea195.83
Relative PSA0.41776
PolarSurfaceArea109.85
Druglikeness1.3576
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms18
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Symmetricatoms2
Amides1
BasicNitrogens1
StereoCon

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