CAS RN: 138588-23-5
3-(pyrazin-2-yl)-1,2,4-thiadiazol-5-amine
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.20250410 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS138588-23-5
- Purity/Analytical Methods: >99.0%
138588-23-5 / 3-pyrazin-2-yl-1,2,4-thiadiazol-5-amine
Basic Information
CAS
138588-23-5
Multi CAS
No
Molecular Formula
C6H5N5S
Molecular Weight
179.210000
Exact Mass
179.026566
SMILES
C1=CN=C(C=N1)C2=NSC(=N2)N
InChI
InChI=1S/C6H5N5S/c7-6-10-5(11-12-6)4-3-8-1-2-9-4/h1-3H,(H2,7,10,11)
InChIKey
MNWYXJXDGKCBFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
45.35
TPSA
77.58
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
Consensus LogP
0.36
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.4
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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