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C15H13N5OS | Cheminformatics
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(2E)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

Molecular Formula : C15H13N5OS | Mutagenic : high | Tumorigenic : low | Reproductive Effective : none |
(2E)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is a drug-like molecule.

MolName : (2E)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

MolecularFormula : C15H13N5OS

Smiles : O=C1N(CCCS2)C2=N/C1=C/c(cc1)ccc1-n1ncnc1

InChI : InChI=1S/C15H13N5OS/c21-14-13(18-15-19(14)6-1-7-22-15)8-11-2-4-12(5-3-11)20-10-16-9-17-20/h2-5,8-10H,1,6-7H2

InChIK : QTFUGYCXGIYBDU-UHFFFAOYSA-N

TotalMolweight : 311.368

Molweight : 311.368

MonoisotopicMass : 311.08408

CLogP : 0.9807

CLogS : -3.519

H Acceptors : 6

TotalSurfaceArea : 227.24

Relative PSA : 0.32741

PolarSurfaceArea : 88.68

Druglikeness : 6.2629

Mutagenic : high

Tumorigenic : low

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 3

StereoCon :

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1 - (2E)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
2 - (2E)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
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