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

Formula:C22H19N5OClF3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea is not a drug-like molecule.

MolName	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea
MolecularFormula	C22H19N5OClF3S2
Smiles	FC(c(cc1)cc(NC(N/N=C\c2c(-c3ccccc3)nc(N3CCOCC3)s2)=S)c1Cl)(F)F
InChI	InChI=1S/C22H19ClF3N5OS2/c23-16-7-6-15(22(24,25)26)12-17(16)28-20(33)30-27-13-18-19(14-4-2-1-3-5-14)29-21(34-18)31-8-10-32-11-9-31/h1-7,12-13H,8-11H2,(H2,28,30,33)
InChIK	IVJZMNRQKTXRBX-UHFFFAOYSA-N
TotalMolweight	526.006
Molweight	526.006
MonoisotopicMass	525.067161
CLogP	6.1732
CLogS	-7.559
H Acceptors	6
H Donors	2
TotalSurfaceArea	374.59
Relative PSA	0.28647
PolarSurfaceArea	122.11
Druglikeness	-2.4359
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
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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1 - 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea | 2 - 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea

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