2-Ethoxythiazole

Introduction

CAS No. :	15679-19-3	MDL No. :	MFCD00055026
Formula :	C5H7NOS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NDUWJHRKDYXRAD-UHFFFAOYSA-N
M.W :	129.18	Pubchem ID :	61809
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.4
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	33.41
TPSA :	50.36 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.71
Log Po/w (XLOGP3) :	1.62
Log Po/w (WLOGP) :	1.54
Log Po/w (MLOGP) :	0.21
Log Po/w (SILICOS-IT) :	2.37
Consensus Log Po/w :	1.49

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.99
Solubility :	1.32 mg/ml ; 0.0102 mol/l
Class :	Very soluble
Log S (Ali) :	-2.29
Solubility :	0.663 mg/ml ; 0.00513 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.79
Solubility :	2.1 mg/ml ; 0.0163 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.57

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P302+P352-P305+P351+P338	UN#:	1993
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

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