![CAS 855715-26-3 4-[(3-METHYLPIPERIDIN-1-YL)METHYL]-1,3-THIAZOL-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0128586.gif)
CAS RN: 855715-26-3
4-[(3-METHYLPIPERIDIN-1-YL)METHYL]-1,3-THIAZOL-2-AMINE
- Product code: SSC-194010
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 | Shanghai | Inquiry |
855715-26-3 / 4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
Basic Information
CAS
855715-26-3
Multi CAS
No
Molecular Formula
C10H17N3S
Molecular Weight
211.330000
Exact Mass
211.114319
InChI
InChI=1S/C10H17N3S/c1-8-3-2-4-13(5-8)6-9-7-14-10(11)12-9/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKey
FIQGFRSJRWEWCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.2
TPSA
42.15
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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