5-Methoxythiazol-2-amine

Introduction

CAS No. :	59019-85-1	MDL No. :	MFCD01630757
Formula :	C4H6N2OS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OZNOHWKQLWLLAG-UHFFFAOYSA-N
M.W :	130.17	Pubchem ID :	20316283
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.25
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	33.01
TPSA :	76.38 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) :	-6.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.39
Log Po/w (XLOGP3) :	0.91
Log Po/w (WLOGP) :	0.74
Log Po/w (MLOGP) :	-0.81
Log Po/w (SILICOS-IT) :	1.44
Consensus Log Po/w :	0.73

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.62
Solubility :	3.15 mg/ml ; 0.0242 mol/l
Class :	Very soluble
Log S (Ali) :	-2.1
Solubility :	1.04 mg/ml ; 0.00795 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.03
Solubility :	12.3 mg/ml ; 0.0942 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.77

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P301+P312+P330	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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