prop-2-ynyl 4-[4-[[(E)-[amino(pyrazin-2-yl)methylidene]amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Formula:C18H19N7O3S Mutagenic:none Tumorigenic:low Reproductive Effective:none prop-2-ynyl 4-[4-[[(E)-[amino(pyrazin-2-yl)methylidene]amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate is a drug-like molecule.

MolName	prop-2-ynyl 4-[4-[[(E)-[amino(pyrazin-2-yl)methylidene]amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
MolecularFormula	C18H19N7O3S
Smiles	C#CCOC(N(CC1)CCC1c1nc(C(N/N=C(\c2nccnc2)/N)=O)cs1)=O
InChI	InChI=1S/C18H19N7O3S/c1-2-9-28-18(27)25-7-3-12(4-8-25)17-22-14(11-29-17)16(26)24-23-15(19)13-10-20-5-6-21-13/h1,5-6,10-12H,3-4,7-9H2,(H2,19,23)(H,24,26)
InChIK	UBUBNTSIJQCKEX-UHFFFAOYSA-N
TotalMolweight	413.461
Molweight	413.461
MonoisotopicMass	413.127008
CLogP	0.6612
CLogS	-2.575
H Acceptors	10
H Donors	2
TotalSurfaceArea	315.6
Relative PSA	0.41553
PolarSurfaceArea	163.93
Druglikeness	3.1711
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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