(2E)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)-N-phenylacetamide

Formula:C14H13N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)-N-phenylacetamide is a drug-like molecule.

MolName(2E)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)-N-phenylacetamide
MolecularFormulaC14H13N3O2S
SmilesO=C(/C=C1/SC2=NCCCN2C1=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O2S/c18-12(16-10-5-2-1-3-6-10)9-11-13(19)17-8-4-7-15-14(17)20-11/h1-3,5-6,9H,4,7-8H2,(H,16,18)
InChIKYQLDAQXTIUWOCK-UHFFFAOYSA-N
TotalMolweight287.342
Molweight287.342
MonoisotopicMass287.072847
CLogP1.3347
CLogS-3.005
H Acceptors5
H Donors1
TotalSurfaceArea209.97
Relative PSA0.33381
PolarSurfaceArea87.07
Druglikeness4.1726
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms20
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms4
Symmetricatoms2
Amides2
StereoCon

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