![CAS 1251716-80-9 2-[(6-Chloro-2-Methyl-4-pyriMidinyl)aMino]-5-thiazolecarboxylic Acid Methyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251716-80-9.gif)
CAS RN: 1251716-80-9
2-[(6-Chloro-2-Methyl-4-pyriMidinyl)aMino]-5-thiazolecarboxylic Acid Methyl Ester
- Product code: SSC-029868
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1251716-80-9 / methyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
Basic Information
CAS
1251716-80-9
Multi CAS
No
Molecular Formula
C10H9ClN4O2S
Molecular Weight
284.720000
Exact Mass
284.013474
SMILES
CC1=NC(=CC(=N1)Cl)NC2=NC=C(S2)C(=O)OC
InChI
InChI=1S/C10H9ClN4O2S/c1-5-13-7(11)3-8(14-5)15-10-12-4-6(18-10)9(16)17-2/h3-4H,1-2H3,(H,12,13,14,15)
InChIKey
PWEKRDVMLSIHBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
68.52
TPSA
77
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
3
Consensus LogP
2.52
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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