(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enenitrile

Formula:C26H21N7OS Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enenitrile
MolecularFormula	C26H21N7OS
Smiles	N#C/C(/c(n1-c2ccccc2)nnc1N1CCOCC1)=C\c1c(-c2ccccc2)nc2sccn12
InChI	InChI=1S/C26H21N7OS/c27-18-20(17-22-23(19-7-3-1-4-8-19)28-26-32(22)13-16-35-26)24-29-30-25(31-11-14-34-15-12-31)33(24)21-9-5-2-6-10-21/h1-10,13,16-17H,11-12,14-15H2
InChIK	MPELZBRZMXBFFT-UHFFFAOYSA-N
TotalMolweight	479.567
Molweight	479.567
MonoisotopicMass	479.152828
CLogP	3.3703
CLogS	-6.079
H Acceptors	8
TotalSurfaceArea	367.47
Relative PSA	0.25907
PolarSurfaceArea	112.51
Druglikeness	-0.59356
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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1 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enenitrile | 2 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enenitrile

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