N-(5-Chloro-6-methylbenzo[d]thiazol-2-yl)-2-phenylacetamide

Introduction

CAS No. :	639052-78-1	MDL No. :	MFCD03786038
Formula :	C16H13ClN2OS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DYHAMRNAHTWYKY-UHFFFAOYSA-N
M.W :	316.81	Pubchem ID :	851474
Synonyms :		Chemical Name :	N-(5-Chloro-6-methylbenzo[d]thiazol-2-yl)-2-phenylacetamide

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	15
Fraction Csp3 :	0.12
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	88.4
TPSA :	70.23 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.39
Log Po/w (XLOGP3) :	4.48
Log Po/w (WLOGP) :	4.25
Log Po/w (MLOGP) :	3.54
Log Po/w (SILICOS-IT) :	5.23
Consensus Log Po/w :	3.98

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.89
Solubility :	0.00407 mg/ml ; 0.0000128 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.67
Solubility :	0.00067 mg/ml ; 0.00000211 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.88
Solubility :	0.0000421 mg/ml ; 0.000000133 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.61

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H320-H335	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine