CAS RN: 100817-90-1
Acetamide, N-(6-methoxy-2-benzothiazolyl)- (9CI)
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.20260306 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS100817-90-1
- Purity/Analytical Methods: >99.0%
100817-90-1 / N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide | N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide | Acetamide, N-(6-methoxy-2-benzothiazolyl)- (9CI)
Basic Information
CAS
100817-90-1
Multi CAS
No
Molecular Formula
C10H10N2O2S
Molecular Weight
222.270000
Exact Mass
222.046299
SMILES
CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC
InChI
InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-4-3-7(14-2)5-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)
InChIKey
ZLUZZGHIYZIXRE-UHFFFAOYSA-N
Synonyms
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Acetamide, N-(6-methoxy-2-benzothiazolyl)- (9CI)
N-(6-Methoxy-benzothiazol-2-yl)-acetamide
CHEMBL1486796
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.48
TPSA
51.22
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.47
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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