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

Formula:C22H23N3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole is a drug-like molecule.

MolName	4-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole
MolecularFormula	C22H23N3BrS
Smiles	Brc(cc1)ccc1-c1csc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1
InChI	InChI=1S/C22H22BrN3S/c23-20-10-8-19(9-11-20)21-17-27-22(24-21)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,17H,12-16H2/p+1
InChIK	PSPLFOKUVODUJI-UHFFFAOYSA-O
TotalMolweight	441.416
Molweight	441.416
MonoisotopicMass	440.079603
CLogP	3.6083
CLogS	-5.406
H Acceptors	3
H Donors	1
TotalSurfaceArea	322.55
Relative PSA	0.16267
PolarSurfaceArea	48.81
Druglikeness	1.7065
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
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-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole | 2 - 4-(4-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1,3-thiazole

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