CAS RN: 923946-90-1
2-(Thiazol-2-yl)aniline
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.20251103 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS923946-90-1
- Purity/Analytical Methods: >99.0%
923946-90-1 / 2-(1,3-thiazol-2-yl)aniline
Basic Information
CAS
923946-90-1
Multi CAS
No
Molecular Formula
C9H8N2S
Molecular Weight
176.240000
Exact Mass
176.040819
InChI
InChI=1S/C9H8N2S/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H,10H2
InChIKey
ZQNDGBGDULZZEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.96
TPSA
38.91
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.1
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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