6-phenyl-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine

Formula:C25H22N6S3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-phenyl-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	6-phenyl-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
MolecularFormula	C25H22N6S3
Smiles	C(CC1)CCN1c1nc(-c2cccs2)c(/C=N\Nc2c(cc(-c3ccccc3)s3)c3ncn2)s1
InChI	InChI=1S/C25H22N6S3/c1-3-8-17(9-4-1)20-14-18-23(26-16-27-24(18)33-20)30-28-15-21-22(19-10-7-13-32-19)29-25(34-21)31-11-5-2-6-12-31/h1,3-4,7-10,13-16H,2,5-6,11-12H2,(H,26,27,30)
InChIK	DIVJZXFRKJJZTB-UHFFFAOYSA-N
TotalMolweight	502.69
Molweight	502.69
MonoisotopicMass	502.106804
CLogP	8.877
CLogS	-9.277
H Acceptors	6
H Donors	1
TotalSurfaceArea	373.06
Relative PSA	0.32303
PolarSurfaceArea	151.02
Druglikeness	4.6569
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 6-phenyl-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine | 2 - 6-phenyl-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine

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