![CAS 1415839-22-3 (R)-2-benzyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415839-22-3.gif)
CAS RN: 1415839-22-3
(R)-2-benzyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS1415839-22-3
- Purity/Analytical Methods: >99.0%
1415839-22-3 / (2R)-2-benzyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
Basic Information
CAS
1415839-22-3
Multi CAS
No
Molecular Formula
C16H14N2S
Molecular Weight
266.400000
Exact Mass
266.087770
SMILES
C1[C@H](N=C2N1C3=CC=CC=C3S2)CC4=CC=CC=C4
InChI
InChI=1S/C16H14N2S/c1-2-6-12(7-3-1)10-13-11-18-14-8-4-5-9-15(14)19-16(18)17-13/h1-9,13H,10-11H2/t13-/m1/s1
InChIKey
QYOVGGRICFJFEJ-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
81.01
TPSA
15.6
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.5
Consensus LogP
3.41
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly 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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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