CAS RN: 438545-36-9
2-(1H-IMIDAZOL-2-YL)-THIAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS438545-36-9
- Purity/Analytical Methods: >99.0%
438545-36-9 / 2-(1H-imidazol-2-yl)-1,3-thiazole
Basic Information
CAS
438545-36-9
Multi CAS
No
Molecular Formula
C6H5N3S
Molecular Weight
151.190000
Exact Mass
151.020418
InChI
InChI=1S/C6H5N3S/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)
InChIKey
VQWJQJWRWJGSHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.7
TPSA
41.57
LogP / Solubility
WLOGP
1.53
MLOGP
1.34
XLogP3
0.8
Consensus LogP
1.22
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.55
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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