CAS RN: 1174322-64-5
5-(thiazol-2-yl)pyridine-2-carboxylic acid
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.20250918 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1174322-64-5
- Purity/Analytical Methods: >99.0%
1174322-64-5 / 5-(1,3-thiazol-2-yl)pyridine-2-carboxylic acid
5-(Thiazol-2-yl)pyridine-2-carboxylic acid | 5-(Thiazol-2-yl)picolinic acid | 5-(1,3-thiazol-2-yl)pyridine-2-carboxylic acid
Basic Information
CAS
1174322-64-5
Multi CAS
No
Molecular Formula
C9H6N2O2S
Molecular Weight
206.220000
Exact Mass
206.014999
SMILES
C1=CC(=NC=C1C2=NC=CS2)C(=O)O
InChI
InChI=1S/C9H6N2O2S/c12-9(13)7-2-1-6(5-11-7)8-10-3-4-14-8/h1-5H,(H,12,13)
InChIKey
WYXFCAVXHLKGLU-UHFFFAOYSA-N
Synonyms
5-(Thiazol-2-yl)pyridine-2-carboxylic acid
5-(Thiazol-2-yl)picolinic acid
5-(1,3-thiazol-2-yl)pyridine-2-carboxylic acid
MFCD18254552
5-thiazol-2-yl-pyridine-2-carboxylic acid
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
52.3
TPSA
63.08
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.63
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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