CAS RN: 31883-01-9
5-ethyl-4-methylthiazole
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS31883-01-9
- Purity/Analytical Methods: >99.0%
31883-01-9 / 5-ethyl-4-methyl-1,3-thiazole
Basic Information
CAS
31883-01-9
Multi CAS
No
Molecular Formula
C6H9NS
Molecular Weight
127.210000
Exact Mass
127.045570
InChI
InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3
InChIKey
XPQULTFBJPGINB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.23
TPSA
12.89
LogP / Solubility
WLOGP
2.01
MLOGP
1.76
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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