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C13H11N2OFS | Cheminformatics
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(2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

Molecular Formula : C13H11N2OFS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is a drug-like molecule.

MolName : (2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

MolecularFormula : C13H11N2OFS

Smiles : O=C(/C(/S1)=C/c(cc2)ccc2F)N2C1=NCCC2

InChI : InChI=1S/C13H11FN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,8H,1,6-7H2

InChIK : UQWMVPXYNNAGAD-UHFFFAOYSA-N

TotalMolweight : 262.307

Molweight : 262.307

MonoisotopicMass : 262.057611

CLogP : 2.1658

CLogS : -3.573

H Acceptors : 3

TotalSurfaceArea : 187.11

Relative PSA : 0.24365

PolarSurfaceArea : 57.97

Druglikeness : 3.9137

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61111

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

StereoCon :

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1 - (2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
2 - (2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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