1-(2,4-difluorophenyl)-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea

Formula:C21H19N5OF2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2,4-difluorophenyl)-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-(2,4-difluorophenyl)-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea
MolecularFormula	C21H19N5OF2S2
Smiles	Fc(cc1)cc(F)c1NC(N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)=S
InChI	InChI=1S/C21H19F2N5OS2/c22-15-6-7-17(16(23)12-15)25-20(30)27-24-13-18-19(14-4-2-1-3-5-14)26-21(31-18)28-8-10-29-11-9-28/h1-7,12-13H,8-11H2,(H2,25,27,30)
InChIK	CHRSZORFRMHXSZ-UHFFFAOYSA-N
TotalMolweight	459.544
Molweight	459.544
MonoisotopicMass	459.099906
CLogP	4.9205
CLogS	-6.673
H Acceptors	6
H Donors	2
TotalSurfaceArea	342.41
Relative PSA	0.3134
PolarSurfaceArea	122.11
Druglikeness	3.3777
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54839
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	4
Aromatic Nitrogens	1
StereoCon

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