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

Formula:C21H27N5OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-cyclohexyl-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-cyclohexyl-3-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]thiourea
MolecularFormula	C21H27N5OS2
Smiles	S=C(NC1CCCCC1)N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1
InChI	InChI=1S/C21H27N5OS2/c28-20(23-17-9-5-2-6-10-17)25-22-15-18-19(16-7-3-1-4-8-16)24-21(29-18)26-11-13-27-14-12-26/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H2,23,25,28)
InChIK	JDAWGUMRUAXOJG-UHFFFAOYSA-N
TotalMolweight	429.611
Molweight	429.611
MonoisotopicMass	429.1657
CLogP	4.5659
CLogS	-6.112
H Acceptors	6
H Donors	2
TotalSurfaceArea	337.75
Relative PSA	0.31772
PolarSurfaceArea	122.11
Druglikeness	-0.36014
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	12
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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