CAS RN: 64951-04-8

ETHYL IMIDAZO[2,1-B][1,3]THIAZOLE-6-CARBOXYLATE

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  • Product code: starshine_CAS64951-04-8
  • Purity/Analytical Methods: >99.0%
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64951-04-8 / ethyl imidazo[2,1-b][1,3]thiazole-6-carboxylate

Standard CAS: 64951-04-8 Multi CAS: Yes

Basic Information

CAS
64951-04-8
Multi CAS
Yes
Molecular Formula
C8H8N2O2S
Molecular Weight
196.230000
Exact Mass
196.030649
InChI
InChI=1S/C8H8N2O2S/c1-2-12-7(11)6-5-10-3-4-13-8(10)9-6/h3-5H,2H2,1H3
InChIKey
PIURXAHSTOGOSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
8
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
49.03
TPSA
43.6

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
2.4
Consensus LogP
1.78
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.8

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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