CAS RN: 175205-53-5
4-(1,2,3-THIADIAZOL-4-YL)BENZAMIDE
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.20250506 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS175205-53-5
- Purity/Analytical Methods: >99.0%
175205-53-5 / 4-(thiadiazol-4-yl)benzamide
Basic Information
CAS
175205-53-5
Multi CAS
No
Molecular Formula
C9H7N3OS
Molecular Weight
205.240000
Exact Mass
205.030983
SMILES
C1=CC(=CC=C1C2=CSN=N2)C(=O)N
InChI
InChI=1S/C9H7N3OS/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H,(H2,10,13)
InChIKey
PAVNUEROKSNSDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.86
TPSA
68.87
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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