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C14H13N3O2S | Cheminformatics

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

Molecular Formula : C14H13N3O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C14H13N3O2S

Smiles : O=C(/C=C1/SC2=NCCCN2C1=O)Nc1ccccc1

InChI : InChI=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)

InChIK : YQLDAQXTIUWOCK-UHFFFAOYSA-N

TotalMolweight : 287.342

Molweight : 287.342

MonoisotopicMass : 287.072847

CLogP : 1.3347

CLogS : -3.005

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 209.97

Relative PSA : 0.33381

PolarSurfaceArea : 87.07

Druglikeness : 4.1726

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 2

StereoCon :

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