CAS RN: 52829-91-1
N,5-dimethylthiazol-2-amine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250813 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS52829-91-1
- Purity/Analytical Methods: >99.0%
52829-91-1 / N,5-dimethyl-1,3-thiazol-2-amine
Basic Information
CAS
52829-91-1
Multi CAS
No
Molecular Formula
C5H8N2S
Molecular Weight
128.200000
Exact Mass
128.040819
InChI
InChI=1S/C5H8N2S/c1-4-3-7-5(6-2)8-4/h3H,1-2H3,(H,6,7)
InChIKey
GAPHTBBWRUZTBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.4
TPSA
24.92
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.44
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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