CAS RN: 105800-72-4
Acetamide, N-(2,3-dihydro-2-oxo-6-benzothiazolyl)- (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS105800-72-4
- Purity/Analytical Methods: >99.0%
105800-72-4 / N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
N-(2,3-Dihydro-2-oxo-6-benzothiazolyl)acetamide | Acetamide, N-(2,3-dihydro-2-oxo-6-benzothiazolyl)- (9CI) | N-(2-oxo-2,3-dihydrobenzo[d]thiazol-6-yl)acetamide
Basic Information
CAS
105800-72-4
Multi CAS
Yes
Molecular Formula
C9H8N2O2S
Molecular Weight
208.240000
Exact Mass
208.030649
SMILES
CC(=O)NC1=CC2=C(C=C1)NC(=O)S2
InChI
InChI=1S/C9H8N2O2S/c1-5(12)10-6-2-3-7-8(4-6)14-9(13)11-7/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKey
ZSDHBDFLMIYKMP-UHFFFAOYSA-N
Synonyms
N-(2,3-Dihydro-2-oxo-6-benzothiazolyl)acetamide
Acetamide, N-(2,3-dihydro-2-oxo-6-benzothiazolyl)- (9CI)
N-(2-oxo-2,3-dihydrobenzo[d]thiazol-6-yl)acetamide
N-(2-OXO-3H-1,3-BENZOTHIAZOL-6-YL)ACETAMIDE
MFCD00796466
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.75
TPSA
61.96
LogP / Solubility
WLOGP
1.55
MLOGP
1.36
XLogP3
0.9
Consensus LogP
1.27
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
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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