6-methyl-2-phenyl-1,3-benzothiazole
CAS No.：
Cat. No.: SC23362
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Product Name :6-methyl-2-phenyl-1,3-benzothiazole
Cat. No.: :SC23362
Purity / Specification :—
CAS No. :10205-58-0
MDL No. :MFCD00160107
Molecular Formula :C14H11NS
LogP :4.60
Molecular Weight :225.31
TPSA :41.1
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1ccc(-c2nc3ccccc3s2)cc1
Melting Point :—
InChI Key : :JVPGYYNQTPWXGE-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✓ 225.3 Da
LogP ≤ 5✓ 4.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i4.60log units
Lipophilic
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.