CAS RN: 58350-40-6

4-(4-methyl-1,3-thiazol-2-yl)morpholine

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  • Product code: starshine_CAS58350-40-6
  • Purity/Analytical Methods: >99.0%
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58350-40-6 / 4-(4-methyl-1,3-thiazol-2-yl)morpholine

Standard CAS: 58350-40-6 Multi CAS: No

Basic Information

CAS
58350-40-6
Multi CAS
No
Molecular Formula
C8H12N2OS
Molecular Weight
184.260000
Exact Mass
184.067034
InChI
InChI=1S/C8H12N2OS/c1-7-6-12-8(9-7)10-2-4-11-5-3-10/h6H,2-5H2,1H3
InChIKey
CCIZNTBFSJFODL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.88
TPSA
25.36

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-2.93

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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