![CAS 850375-02-9 N-METHYL-N-[(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHYL]AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/850375-02-9.gif)
CAS RN: 850375-02-9
N-METHYL-N-[(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)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.20250919 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS850375-02-9
- Purity/Analytical Methods: >99.0%
850375-02-9 / N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
Basic Information
CAS
850375-02-9
Multi CAS
No
Molecular Formula
C12H14N2S
Molecular Weight
218.320000
Exact Mass
218.087770
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)CNC
InChI
InChI=1S/C12H14N2S/c1-9-11(8-13-2)15-12(14-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKey
GFAGRBRYZWAUSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.05
TPSA
24.92
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
2.4
Consensus LogP
2.58
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.04
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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