![CAS 257862-97-8 1-(5-METHYLAMINO-[1,2,4]THIADIAZOL-3-YL)-PROPAN-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/257862-97-8.gif)
CAS RN: 257862-97-8
1-(5-METHYLAMINO-[1,2,4]THIADIAZOL-3-YL)-PROPAN-2-ONE
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.20260317 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS257862-97-8
- Purity/Analytical Methods: >99.0%
257862-97-8 / 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
Basic Information
CAS
257862-97-8
Multi CAS
No
Molecular Formula
C6H9N3OS
Molecular Weight
171.220000
Exact Mass
171.046633
SMILES
CC(=O)CC1=NSC(=N1)NC
InChI
InChI=1S/C6H9N3OS/c1-4(10)3-5-8-6(7-2)11-9-5/h3H2,1-2H3,(H,7,8,9)
InChIKey
OAGMZNVAKMLSPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.84
TPSA
54.88
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
0.7
Consensus LogP
0.68
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.26
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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