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C11H10N2OS2 | Cheminformatics
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(2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

Molecular Formula : C11H10N2OS2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is a drug-like molecule.

MolName : (2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

MolecularFormula : C11H10N2OS2

Smiles : O=C(/C(/S1)=C\c2cccs2)N2C1=NCCC2

InChI : InChI=1S/C11H10N2OS2/c14-10-9(7-8-3-1-6-15-8)16-11-12-4-2-5-13(10)11/h1,3,6-7H,2,4-5H2

InChIK : LOOXZKUAZICRFJ-UHFFFAOYSA-N

TotalMolweight : 250.345

Molweight : 250.345

MonoisotopicMass : 250.023453

CLogP : 1.9316

CLogS : -3.269

H Acceptors : 3

TotalSurfaceArea : 176.7

Relative PSA : 0.37323

PolarSurfaceArea : 86.21

Druglikeness : 5.7263

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5625

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 4

Amides : 1

StereoCon :

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1 - (2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
2 - (2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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