2-bromo-5-methyl-1,3-thiazol-4-amine
CAS No.：
Cat. No.: SC24699
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Product Name :2-bromo-5-methyl-1,3-thiazol-4-amine
Cat. No.: :SC24699
Purity / Specification :—
CAS No. :554429-01-5
MDL No. :MFCD20698320
Molecular Formula :C4H5BrN2S
LogP :2.00
Molecular Weight :193.06
TPSA :67.2
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1sc(Br)nc1N
Melting Point :—
InChI Key : :RJEGJTCYTMFJKS-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✓ 193.1 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i79/100
Good drug-like profile
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.2Ų · 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.