Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CAS No.：
Cat. No.: SC18001
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Product Name :Ethyl 2-methyl-1,3-thiazole-5-carboxylate
Cat. No.: :SC18001
Purity / Specification :—
CAS No. :79836-78-5
MDL No. :MFCD03840442
Molecular Formula :C7H9NO2S
LogP :1.90
Molecular Weight :171.21
TPSA :67.4
Category :CDMO
HSN Code :—
SMILES Code :CCOC(=O)c1cnc(C)s1
Melting Point :—
InChI Key : :ORCQTMZHDQSNOJ-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✓ 171.2 Da
LogP ≤ 5✓ 1.90
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i77/100
Good drug-like profile
Predicted LogP
i1.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.4Ų · 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.