6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole hydrochloride

Introduction

CAS No. :	5086-74-8	MDL No. :	MFCD00005536
Formula :	C11H13ClN2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LAZPBGZRMVRFKY-UHFFFAOYSA-N
M.W :	240.75	Pubchem ID :	68628
Synonyms :	DL-Tetramisole Hydrochloride;(±)-Tetramisole hydrochloride;R-829;Tetramisole hydrochloride	Chemical Name :	6-Phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole hydrochloride

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.36
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	74.79
TPSA :	40.9 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.89 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.64
Log Po/w (WLOGP) :	1.86
Log Po/w (MLOGP) :	2.47
Log Po/w (SILICOS-IT) :	2.75
Consensus Log Po/w :	1.94

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.23
Solubility :	0.143 mg/ml ; 0.000594 mol/l
Class :	Soluble
Log S (Ali) :	-3.15
Solubility :	0.171 mg/ml ; 0.000709 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.03
Solubility :	0.223 mg/ml ; 0.000927 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.53

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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