CAS RN: 120740-06-9
(2-Chloro-thiazol-5-ylMethyl)-Methyl-aMine
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.20251107 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS120740-06-9
- Purity/Analytical Methods: >99.0%
120740-06-9 / 1-(2-chloro-1,3-thiazol-5-yl)-N-methylmethanamine
(2-Chloro-thiazol-5-ylmethyl)-methyl-amine | 1-(2-chloro-1,3-thiazol-5-yl)-N-methylmethanamine | 1-(2-CHLOROTHIAZOL-5-YL)-N-METHYLMETHANAMINE
Basic Information
CAS
120740-06-9
Multi CAS
No
Molecular Formula
C5H7ClN2S
Molecular Weight
162.640000
Exact Mass
162.001847
SMILES
CNCC1=CN=C(S1)Cl
InChI
InChI=1S/C5H7ClN2S/c1-7-2-4-3-8-5(6)9-4/h3,7H,2H2,1H3
InChIKey
SMWPUJJZPVUXMC-UHFFFAOYSA-N
Synonyms
(2-Chloro-thiazol-5-ylmethyl)-methyl-amine
1-(2-chloro-1,3-thiazol-5-yl)-N-methylmethanamine
1-(2-CHLOROTHIAZOL-5-YL)-N-METHYLMETHANAMINE
MFCD18206726
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.89
TPSA
24.92
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
