N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-1H-benzimidazol-2-amine

Formula:C20H20N6S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-1H-benzimidazol-2-amine
MolecularFormula	C20H20N6S2
Smiles	C(CC1)CCN1c1nc(-c2cccs2)c(/C=N\Nc2nc(cccc3)c3[nH]2)s1
InChI	InChI=1S/C20H20N6S2/c1-4-10-26(11-5-1)20-24-18(16-9-6-12-27-16)17(28-20)13-21-25-19-22-14-7-2-3-8-15(14)23-19/h2-3,6-9,12-13H,1,4-5,10-11H2,(H2,22,23,25)
InChIK	CWGGLYVWOKQJHX-UHFFFAOYSA-N
TotalMolweight	408.553
Molweight	408.553
MonoisotopicMass	408.119084
CLogP	7.1242
CLogS	-6.165
H Acceptors	6
H Donors	2
TotalSurfaceArea	308.17
Relative PSA	0.33478
PolarSurfaceArea	125.68
Druglikeness	5.2239
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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