Ethyl 4-bromo-2-methyl-1,3-thiazole-5-carboxylate
CAS No.：
Cat. No.: SC23240
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Product Name :Ethyl 4-bromo-2-methyl-1,3-thiazole-5-carboxylate
Cat. No.: :SC23240
Purity / Specification :—
CAS No. :2091043-87-5
MDL No. :MFCD3220635
Molecular Formula :C7H8BrNO2S
LogP :2.90
Molecular Weight :250.11
TPSA :67.4
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)c1sc(C)nc1Br
Melting Point :—
InChI Key : :KJLDSGSEEORHLI-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 250.1 Da
LogP ≤ 5✓ 2.90
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i90/100
Excellent drug-like profile
Predicted LogP
i2.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.4Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.