![CAS 1283109-29-4 {2-[(6-Methylpyridin-2-yl)amino]-1,3-thiazol-4-yl}acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1283109-29-4.gif)
CAS RN: 1283109-29-4
{2-[(6-Methylpyridin-2-yl)amino]-1,3-thiazol-4-yl}acetic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251130 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1283109-29-4
- Purity/Analytical Methods: >99.0%
1283109-29-4 / 2-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
Basic Information
CAS
1283109-29-4
Multi CAS
No
Molecular Formula
C11H11N3O2S
Molecular Weight
249.290000
Exact Mass
249.057198
SMILES
CC1=NC(=CC=C1)NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C11H11N3O2S/c1-7-3-2-4-9(12-7)14-11-13-8(6-17-11)5-10(15)16/h2-4,6H,5H2,1H3,(H,15,16)(H,12,13,14)
InChIKey
LMCGYFZNTMIEQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.71
TPSA
75.11
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2
Consensus LogP
2.06
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
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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