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

Formula:C22H21N5OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-1H-indole-3-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-1H-indole-3-carboxamide
MolecularFormula	C22H21N5OS2
Smiles	O=C(c1c[nH]c2c1cccc2)N/N=C\c1c(-c2cccs2)nc(N2CCCCC2)s1
InChI	InChI=1S/C22H21N5OS2/c28-21(16-13-23-17-8-3-2-7-15(16)17)26-24-14-19-20(18-9-6-12-29-18)25-22(30-19)27-10-4-1-5-11-27/h2-3,6-9,12-14,23H,1,4-5,10-11H2,(H,26,28)
InChIK	UHHASWDVMSRCAL-UHFFFAOYSA-N
TotalMolweight	435.575
Molweight	435.575
MonoisotopicMass	435.11875
CLogP	5.5552
CLogS	-6.78
H Acceptors	6
H Donors	2
TotalSurfaceArea	327.16
Relative PSA	0.32168
PolarSurfaceArea	129.86
Druglikeness	6.741
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
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	2
StereoCon

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