(6E)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

Formula:C14H11N5OS Mutagenic:high Tumorigenic:low Reproductive Effective:none (6E)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is a drug-like molecule.

MolName	(6E)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
MolecularFormula	C14H11N5OS
Smiles	O=C1N(CCS2)C2=N/C1=C/c(cc1)ccc1-n1ncnc1
InChI	InChI=1S/C14H11N5OS/c20-13-12(17-14-18(13)5-6-21-14)7-10-1-3-11(4-2-10)19-9-15-8-16-19/h1-4,7-9H,5-6H2
InChIK	HCUUPNBJTPNOSY-UHFFFAOYSA-N
TotalMolweight	297.341
Molweight	297.341
MonoisotopicMass	297.06843
CLogP	0.6387
CLogS	-3.249
H Acceptors	6
TotalSurfaceArea	213.48
Relative PSA	0.34851
PolarSurfaceArea	88.68
Druglikeness	6.1951
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - (6E)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one | 2 - (6E)-6-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

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