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

Formula:C21H20N5OFS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2-fluorophenyl)-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-(2-fluorophenyl)-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea
MolecularFormula	C21H20N5OFS2
Smiles	Fc(cccc1)c1NC(N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)=S
InChI	InChI=1S/C21H20FN5OS2/c22-16-8-4-5-9-17(16)24-20(29)26-23-14-18-19(15-6-2-1-3-7-15)25-21(30-18)27-10-12-28-13-11-27/h1-9,14H,10-13H2,(H2,24,26,29)
InChIK	KAORFVRWZFPOJO-UHFFFAOYSA-N
TotalMolweight	441.554
Molweight	441.554
MonoisotopicMass	441.109328
CLogP	4.8197
CLogS	-6.359
H Acceptors	6
H Donors	2
TotalSurfaceArea	336.06
Relative PSA	0.31932
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	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
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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