(2E)-N-(3-morpholin-4-ylsulfonylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide

Formula:C21H19N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-N-(3-morpholin-4-ylsulfonylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.

MolName	(2E)-N-(3-morpholin-4-ylsulfonylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C21H19N5O3S2
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=N\Nc1cccc(S(N2CCOCC2)(=O)=O)c1
InChI	InChI=1S/C21H19N5O3S2/c22-14-19(21-23-20(15-30-21)16-5-2-1-3-6-16)25-24-17-7-4-8-18(13-17)31(27,28)26-9-11-29-12-10-26/h1-8,13,15,24H,9-12H2
InChIK	NYXBYQDWOGLVHA-UHFFFAOYSA-N
TotalMolweight	453.546
Molweight	453.546
MonoisotopicMass	453.09293
CLogP	3.6475
CLogS	-3.671
H Acceptors	8
H Donors	1
TotalSurfaceArea	334.04
Relative PSA	0.32927
PolarSurfaceArea	144.3
Druglikeness	-4.4375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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