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

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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