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CAS 21478-95-5 N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide molecular structure lightbox
CAS RN: 21478-95-5

N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 100mg / 250mg / 500mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-102978
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21478-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21478-95-5 / N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide

Standard CAS: 21478-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21478-95-5
Multi CAS
No
Molecular Formula
C6H7BrN2OS
Molecular Weight
235.100000
Exact Mass
233.946250
SMILES
CC1=C(SC(=N1)NC(=O)C)Br
InChI
InChI=1S/C6H7BrN2OS/c1-3-5(7)11-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)
InChIKey
VGOJXJXWXAIOBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.85
TPSA
41.99

LogP / Solubility

WLOGP
2.17
MLOGP
1.92
XLogP3
1.9
Consensus LogP
2
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.61

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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