(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C16H16N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormulaC16H16N6OS
SmilesC(COCC1)N1c1nc(-c2ccccc2)c(/C=N\n2cnnc2)s1
InChIInChI=1S/C16H16N6OS/c1-2-4-13(5-3-1)15-14(10-19-22-11-17-18-12-22)24-16(20-15)21-6-8-23-9-7-21/h1-5,10-12H,6-9H2
InChIKQIAKOYQYRDZMBM-UHFFFAOYSA-N
TotalMolweight340.41
Molweight340.41
MonoisotopicMass340.110629
CLogP2.355
CLogS-6.034
H Acceptors7
TotalSurfaceArea260.8
Relative PSA0.32669
PolarSurfaceArea96.67
Druglikeness5.3473
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms5
Symmetricatoms6
Aromatic Nitrogens4
StereoCon

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