N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

Formula:C22H20N7O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is not a drug-like molecule.

MolName	N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
MolecularFormula	C22H20N7O2F3S
Smiles	N/C(/c1nccnc1)=N/NC(c1csc(C(CC2)CCN2C(c2c(C(F)(F)F)cccc2)=O)n1)=O
InChI	InChI=1S/C22H20F3N7O2S/c23-22(24,25)15-4-2-1-3-14(15)21(34)32-9-5-13(6-10-32)20-29-17(12-35-20)19(33)31-30-18(26)16-11-27-7-8-28-16/h1-4,7-8,11-13H,5-6,9-10H2,(H2,26,30)(H,31,33)
InChIK	NGSDYUMSYNVYMU-UHFFFAOYSA-N
TotalMolweight	503.508
Molweight	503.508
MonoisotopicMass	503.135127
CLogP	2.7229
CLogS	-3.584
H Acceptors	9
H Donors	2
TotalSurfaceArea	357.25
Relative PSA	0.33909
PolarSurfaceArea	154.7
Druglikeness	0.94838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide | 2 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

Request More Details | N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments