CAS RN: 2323582-65-4
(S)-1-(Thiazol-2-yl)ethanamine hydrochloride
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.20251104 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2323582-65-4
- Purity/Analytical Methods: >99.0%
2323582-65-4 / 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride
Basic Information
CAS
2323582-65-4
Multi CAS
No
Molecular Formula
C5H9ClN2S
Molecular Weight
164.660000
Exact Mass
164.017497
SMILES
CC(C1=NC=CS1)N.Cl
InChI
InChI=1S/C5H8N2S.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3;1H
InChIKey
KLQZMXLICFMMGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.96
TPSA
38.91
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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