Imidazo[2,1-b]thiazol-6-ylmethanol

Introduction

CAS No. :	349480-74-6	MDL No. :	MFCD07368518
Formula :	C6H6N2OS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GBUTVPCKMACQMG-UHFFFAOYSA-N
M.W :	154.19	Pubchem ID :	4961267
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	8
Fraction Csp3 :	0.17
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	39.2
TPSA :	65.77 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.18
Log Po/w (XLOGP3) :	1.01
Log Po/w (WLOGP) :	0.74
Log Po/w (MLOGP) :	-0.21
Log Po/w (SILICOS-IT) :	1.51
Consensus Log Po/w :	0.85

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.96
Solubility :	1.7 mg/ml ; 0.011 mol/l
Class :	Very soluble
Log S (Ali) :	-1.98
Solubility :	1.61 mg/ml ; 0.0105 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.17
Solubility :	10.4 mg/ml ; 0.0678 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.43

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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