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

Formula:C22H22N7O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(2-chlorophenyl)acetyl]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-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
MolecularFormula	C22H22N7O2ClS
Smiles	N/C(/c1nccnc1)=N/NC(c1csc(C(CC2)CCN2C(Cc(cccc2)c2Cl)=O)n1)=O
InChI	InChI=1S/C22H22ClN7O2S/c23-16-4-2-1-3-15(16)11-19(31)30-9-5-14(6-10-30)22-27-18(13-33-22)21(32)29-28-20(24)17-12-25-7-8-26-17/h1-4,7-8,12-14H,5-6,9-11H2,(H2,24,28)(H,29,32)
InChIK	JHWRDERIYMAHEP-UHFFFAOYSA-N
TotalMolweight	483.983
Molweight	483.983
MonoisotopicMass	483.12442
CLogP	2.4787
CLogS	-3.507
H Acceptors	9
H Donors	2
TotalSurfaceArea	356.97
Relative PSA	0.33936
PolarSurfaceArea	154.7
Druglikeness	8.2395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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

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