(5Z)-5-benzylidene-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-thiazol-4-one

Formula:C16H20N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-benzylidene-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-5-benzylidene-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-thiazol-4-one
MolecularFormula	C16H20N3O2S
Smiles	OCC[NH+](CC1)CCN1C(S/C1=C\c2ccccc2)=NC1=O
InChI	InChI=1S/C16H19N3O2S/c20-11-10-18-6-8-19(9-7-18)16-17-15(21)14(22-16)12-13-4-2-1-3-5-13/h1-5,12,20H,6-11H2/p+1
InChIK	NBSRKEZWTDWSHY-UHFFFAOYSA-O
TotalMolweight	318.42
Molweight	318.42
MonoisotopicMass	318.127622
CLogP	-0.9357
CLogS	-2.205
H Acceptors	5
H Donors	2
TotalSurfaceArea	252.73
Relative PSA	0.30182
PolarSurfaceArea	82.64
Druglikeness	3.9231
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

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