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

Formula:C22H20N5OF3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]thiourea is not a drug-like molecule.

MolName	1-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]thiourea
MolecularFormula	C22H20N5OF3S2
Smiles	FC(c1cccc(NC(N/N=C\c2c(-c3ccccc3)nc(N3CCOCC3)s2)=S)c1)(F)F
InChI	InChI=1S/C22H20F3N5OS2/c23-22(24,25)16-7-4-8-17(13-16)27-20(32)29-26-14-18-19(15-5-2-1-3-6-15)28-21(33-18)30-9-11-31-12-10-30/h1-8,13-14H,9-12H2,(H2,27,29,32)
InChIK	YFDADDSMSVQVQO-UHFFFAOYSA-N
TotalMolweight	491.561
Molweight	491.561
MonoisotopicMass	491.106134
CLogP	5.5672
CLogS	-6.823
H Acceptors	6
H Donors	2
TotalSurfaceArea	359.17
Relative PSA	0.29877
PolarSurfaceArea	122.11
Druglikeness	-2.4723
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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