383865-57-4|4-Methoxy-7-morpholinobenzo[d]thiazol-2-amine

Introduction

CAS No. :	383865-57-4	MDL No. :	MFCD18642707
Formula :	C12H15N3O2S	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DOIKFFGWUPLXGA-UHFFFAOYSA-N
M.W :	265.33	Pubchem ID :	11402861
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.42
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	76.24
TPSA :	88.85 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.68 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.18
Log Po/w (XLOGP3) :	1.75
Log Po/w (WLOGP) :	1.35
Log Po/w (MLOGP) :	0.75
Log Po/w (SILICOS-IT) :	2.33
Consensus Log Po/w :	1.67

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.83
Solubility :	0.396 mg/ml ; 0.00149 mol/l
Class :	Soluble
Log S (Ali) :	-3.23
Solubility :	0.155 mg/ml ; 0.000585 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.93
Solubility :	0.314 mg/ml ; 0.00118 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.84

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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