1-(1,3-thiazol-5-yl)ethanone
CAS No.：
Cat. No.: SC25951
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Product Name :1-(1,3-thiazol-5-yl)ethanone
Cat. No.: :SC25951
Purity / Specification :—
CAS No. :91516-28-8
MDL No. :MFCD0827500
Molecular Formula :C5H5NOS
LogP :1.00
Molecular Weight :127.16
TPSA :58.2
Category :Building Blocks
HSN Code :—
SMILES Code :CC(=O)C1=CN=CS1
Melting Point :—
InChI Key : :DBNLYQBYTOYCGO-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✓ 127.2 Da
LogP ≤ 5✓ 1.00
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i67/100
Moderate — typical building block
Predicted LogP
i1.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 58.2Ų · 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.