2-([1,1'-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide

Introduction

CAS No. :	1049780-58-6	MDL No. :	MFCD07281912
Formula :	C17H15BrN2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FYYVGPJPIJHFCL-UHFFFAOYSA-N
M.W :	359.28	Pubchem ID :	16240819
Synonyms :	AUTEN-99;AUTEN-99 hydrobromide;Autophagy Enhancer-99;Autophagy enhancer-99 hydrobromide	Chemical Name :	2-([1,1'-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	17
Fraction Csp3 :	0.12
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	97.12
TPSA :	45.53 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	4.36
Log Po/w (WLOGP) :	4.38
Log Po/w (MLOGP) :	3.67
Log Po/w (SILICOS-IT) :	5.44
Consensus Log Po/w :	3.57

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.28
Solubility :	0.00188 mg/ml ; 0.00000523 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.03
Solubility :	0.00334 mg/ml ; 0.0000093 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.1
Solubility :	0.000283 mg/ml ; 0.000000789 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.42

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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