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

Formula:C18H17N5Cl2S2 Mutagenic:high Tumorigenic:low Reproductive Effective:low 3,5-dichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine is not a drug-like molecule.

MolName	3,5-dichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine
MolecularFormula	C18H17N5Cl2S2
Smiles	Clc1cc(Cl)c(N/N=C\c2c(-c3cccs3)nc(N3CCCCC3)s2)nc1
InChI	InChI=1S/C18H17Cl2N5S2/c19-12-9-13(20)17(21-10-12)24-22-11-15-16(14-5-4-8-26-14)23-18(27-15)25-6-2-1-3-7-25/h4-5,8-11H,1-3,6-7H2,(H,21,24)
InChIK	QEWIVNOVGSONRQ-UHFFFAOYSA-N
TotalMolweight	438.406
Molweight	438.406
MonoisotopicMass	437.030239
CLogP	7.7176
CLogS	-6.885
H Acceptors	5
H Donors	1
TotalSurfaceArea	314.84
Relative PSA	0.28325
PolarSurfaceArea	109.89
Druglikeness	4.67
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 3,5-dichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine | 2 - 3,5-dichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine

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