4-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole

Formula:C22H24N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole is a drug-like molecule.

MolName	4-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole
MolecularFormula	C22H24N3S
Smiles	C(/C=C/c1ccccc1)[NH+](CC1)CCN1c1nc(-c2ccccc2)cs1
InChI	InChI=1S/C22H23N3S/c1-3-8-19(9-4-1)10-7-13-24-14-16-25(17-15-24)22-23-21(18-26-22)20-11-5-2-6-12-20/h1-12,18H,13-17H2/p+1
InChIK	DYCSXVJWWWGHHQ-UHFFFAOYSA-O
TotalMolweight	362.52
Molweight	362.52
MonoisotopicMass	362.169092
CLogP	2.8831
CLogS	-4.572
H Acceptors	3
H Donors	1
TotalSurfaceArea	303.92
Relative PSA	0.17264
PolarSurfaceArea	48.81
Druglikeness	3.4965
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	6
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

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1 - 4-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole | 2 - 4-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole

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