2-(bromomethyl)-1,3-thiazole;hydrobromide
CAS No.：
Cat. No.: SC251137
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Product Name :2-(bromomethyl)-1,3-thiazole;hydrobromide
Cat. No.: :SC251137
Purity / Specification :—
CAS No. :1263378-94-4
MDL No. :MFCD18432673
Molecular Formula :C4H5Br2NS
LogP :2.62
Molecular Weight :258.96
TPSA :41.1
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=CSC(=N1)CBr.Br
Melting Point :—
InChI Key : :ATUWKVUADULYLQ-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✓ 259.0 Da
LogP ≤ 5✓ 2.62
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i85/100
Excellent drug-like profile
Predicted LogP
i2.62log 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.