2-Amino-5-(2-hydroxyethyl)thiazole

Introduction

CAS No. :	105773-93-1	MDL No. :	MFCD13184156
Formula :	C5H8N2OS	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	QXZROQLPDVYROK-UHFFFAOYSA-N
M.W :	144.20	Pubchem ID :	13637184
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.4
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	37.45
TPSA :	87.38 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.02 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.13
Log Po/w (XLOGP3) :	0.22
Log Po/w (WLOGP) :	0.27
Log Po/w (MLOGP) :	-0.67
Log Po/w (SILICOS-IT) :	1.51
Consensus Log Po/w :	0.49

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.15
Solubility :	10.2 mg/ml ; 0.0705 mol/l
Class :	Very soluble
Log S (Ali) :	-1.61
Solubility :	3.5 mg/ml ; 0.0243 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.15
Solubility :	10.3 mg/ml ; 0.0714 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.3

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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