4-bromo-2-methyl-1,3-thiazole
CAS No.：
Cat. No.: SC23260
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Product Name :4-bromo-2-methyl-1,3-thiazole
Cat. No.: :SC23260
Purity / Specification :—
CAS No. :298694-30-1
MDL No. :MFCD0640994
Molecular Formula :C4H4BrNS
LogP :2.40
Molecular Weight :178.05
TPSA :41.1
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1nc(Br)cs1
Melting Point :—
InChI Key : :LYRXILTUZBBMNS-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✓ 178.0 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i2.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 41.1Ų · 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.