![CAS 586409-05-4 6-Methylthiazolo[4,5-b]pyridine-2-thiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/586409-05-4.gif)
CAS RN: 586409-05-4
6-Methylthiazolo[4,5-b]pyridine-2-thiol
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS586409-05-4
- Purity/Analytical Methods: >99.0%
586409-05-4 / 6-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
Basic Information
CAS
586409-05-4
Multi CAS
No
Molecular Formula
C7H6N2S2
Molecular Weight
182.300000
Exact Mass
181.997241
InChI
InChI=1S/C7H6N2S2/c1-4-2-5-6(8-3-4)9-7(10)11-5/h2-3H,1H3,(H,8,9,10)
InChIKey
YQKFYKUTORZZLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.54
TPSA
28.68
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
1.9
Consensus LogP
2.3
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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