(Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine

Formula:C13H14N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine is a drug-like molecule.

MolName	(Z)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine
MolecularFormula	C13H14N4O2S2
Smiles	[O-][N+](c1ccc(-c2nc(/C=N\N3CCCCC3)cs2)s1)=O
InChI	InChI=1S/C13H14N4O2S2/c18-17(19)12-5-4-11(21-12)13-15-10(9-20-13)8-14-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2
InChIK	AUPXNTKSQROOGH-UHFFFAOYSA-N
TotalMolweight	322.412
Molweight	322.412
MonoisotopicMass	322.055816
CLogP	2.6561
CLogS	-3.602
H Acceptors	6
TotalSurfaceArea	237.69
Relative PSA	0.40881
PolarSurfaceArea	130.79
Druglikeness	-1.0673
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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