Thiazol-2-amine

Introduction

CAS No. :	96-50-4	MDL No. :	MFCD00005325
Formula :	C3H4N2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RAIPHJJURHTUIC-UHFFFAOYSA-N
M.W :	100.14	Pubchem ID :	2155
Synonyms :	2-Aminothiazole;2-Thiazolylamine;NSC 1900;Basedol	Chemical Name :	Thiazol-2-amine

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	26.52
TPSA :	67.15 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) :	-6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.02
Log Po/w (XLOGP3) :	0.38
Log Po/w (WLOGP) :	0.73
Log Po/w (MLOGP) :	-0.65
Log Po/w (SILICOS-IT) :	1.67
Consensus Log Po/w :	0.63

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.32
Solubility :	4.83 mg/ml ; 0.0482 mol/l
Class :	Very soluble
Log S (Ali) :	-1.36
Solubility :	4.42 mg/ml ; 0.0441 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.86
Solubility :	14.0 mg/ml ; 0.139 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.97

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H319	Packing Group:	N/A
GHS Pictogram:

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