N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Formula:C21H19N7O2ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is a drug-like molecule.

MolName	N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
MolecularFormula	C21H19N7O2ClFS
Smiles	N/C(/c1nccnc1)=N/NC(c1csc(C(CC2)CCN2C(c(c(F)ccc2)c2Cl)=O)n1)=O
InChI	InChI=1S/C21H19ClFN7O2S/c22-13-2-1-3-14(23)17(13)21(32)30-8-4-12(5-9-30)20-27-16(11-33-20)19(31)29-28-18(24)15-10-25-6-7-26-15/h1-3,6-7,10-12H,4-5,8-9H2,(H2,24,28)(H,29,31)
InChIK	UIBNZRWANQBNED-UHFFFAOYSA-N
TotalMolweight	487.946
Molweight	487.946
MonoisotopicMass	487.099348
CLogP	2.5814
CLogS	-3.856
H Acceptors	9
H Donors	2
TotalSurfaceArea	349.56
Relative PSA	0.34655
PolarSurfaceArea	154.7
Druglikeness	6.8262
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide | 2 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

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