(5E)-5-[(2-chlorophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

Formula:C20H18N3OClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (5E)-5-[(2-chlorophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-5-[(2-chlorophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
MolecularFormula	C20H18N3OClS
Smiles	O=C1N=C(N(CC2)CCN2c2ccccc2)S/C1=C/c(cccc1)c1Cl
InChI	InChI=1S/C20H18ClN3OS/c21-17-9-5-4-6-15(17)14-18-19(25)22-20(26-18)24-12-10-23(11-13-24)16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIK	LSVCJHMZHZXGMD-UHFFFAOYSA-N
TotalMolweight	383.902
Molweight	383.902
MonoisotopicMass	383.085909
CLogP	3.7956
CLogS	-4.993
H Acceptors	4
TotalSurfaceArea	280
Relative PSA	0.1755
PolarSurfaceArea	61.21
Druglikeness	6.3152
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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