2-Thiophenecarboxylic acid hydrazide

Introduction

CAS No. :	2361-27-5	MDL No. :	MFCD00005435
Formula :	C5H6N2OS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SOGBOGBTIKMGFS-UHFFFAOYSA-N
M.W :	142.18	Pubchem ID :	73098
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	35.22
TPSA :	83.36 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) :	-7.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.04
Log Po/w (XLOGP3) :	0.09
Log Po/w (WLOGP) :	0.35
Log Po/w (MLOGP) :	0.05
Log Po/w (SILICOS-IT) :	0.92
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) :	-1.06
Solubility :	12.5 mg/ml ; 0.0876 mol/l
Class :	Very soluble
Log S (Ali) :	-1.4
Solubility :	5.72 mg/ml ; 0.0403 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.28
Solubility :	7.41 mg/ml ; 0.0521 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.85

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

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