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

Formula:C23H21N7O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is a drug-like molecule.

MolName	N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
MolecularFormula	C23H21N7O2S
Smiles	N/C(/c1nccnc1)=N/NC(c1csc(C(CC2)CCN2C(C#Cc2ccccc2)=O)n1)=O
InChI	InChI=1S/C23H21N7O2S/c24-21(18-14-25-10-11-26-18)28-29-22(32)19-15-33-23(27-19)17-8-12-30(13-9-17)20(31)7-6-16-4-2-1-3-5-16/h1-5,10-11,14-15,17H,8-9,12-13H2,(H2,24,28)(H,29,32)
InChIK	MPTVACWYAPPSNQ-UHFFFAOYSA-N
TotalMolweight	459.533
Molweight	459.533
MonoisotopicMass	459.147743
CLogP	2.1345
CLogS	-3.563
H Acceptors	9
H Donors	2
TotalSurfaceArea	357.59
Relative PSA	0.33877
PolarSurfaceArea	154.7
Druglikeness	0.92838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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