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

Formula:C21H27N7O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is a drug-like molecule.

MolName	N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
MolecularFormula	C21H27N7O2S
Smiles	N/C(/c1nccnc1)=N/NC(c1csc(C(CC2)CCN2C(C2CCCCC2)=O)n1)=O
InChI	InChI=1S/C21H27N7O2S/c22-18(16-12-23-8-9-24-16)26-27-19(29)17-13-31-20(25-17)14-6-10-28(11-7-14)21(30)15-4-2-1-3-5-15/h8-9,12-15H,1-7,10-11H2,(H2,22,26)(H,27,29)
InChIK	BZBMWPXJZSPIDE-UHFFFAOYSA-N
TotalMolweight	441.558
Molweight	441.558
MonoisotopicMass	441.194693
CLogP	1.7749
CLogS	-2.962
H Acceptors	9
H Donors	2
TotalSurfaceArea	335.83
Relative PSA	0.36072
PolarSurfaceArea	154.7
Druglikeness	3.4971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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

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