CAS RN: 1092942-42-1
2-BroMo-N-Methyl-1,3-thiazole-4-carboxaMide
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.20250119 | 100mg / 250mg / 1g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-010532
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: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
1092942-42-1 / 2-bromo-N-methyl-1,3-thiazole-4-carboxamide
2-Bromo-N-methylthiazole-4-carboxamide | 2-Bromo-N-methyl-1,3-thiazole-4-carboxamide | MFCD20265433
Basic Information
CAS
1092942-42-1
Multi CAS
No
Molecular Formula
C5H5BrN2OS
Molecular Weight
221.080000
Exact Mass
219.930600
SMILES
CNC(=O)C1=CSC(=N1)Br
InChI
InChI=1S/C5H5BrN2OS/c1-7-4(9)3-2-10-5(6)8-3/h2H,1H3,(H,7,9)
InChIKey
IIVIJFKYLPGNBP-UHFFFAOYSA-N
Synonyms
2-Bromo-N-methylthiazole-4-carboxamide
2-Bromo-N-methyl-1,3-thiazole-4-carboxamide
MFCD20265433
2-Bromo-N-methyl-4-thiazolecarboxamide
2-bromo-N-methyl-thiazole-4-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.2
TPSA
41.99
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-3.17
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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