3-methyl-1,2-thiazole-5-carboxylic acid
CAS No.：
Cat. No.: SC23238
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Product Name :3-methyl-1,2-thiazole-5-carboxylic acid
Cat. No.: :SC23238
Purity / Specification :—
CAS No. :66975-83-5
MDL No. :MFCD11110341
Molecular Formula :C5H5NO2S
LogP :1.20
Molecular Weight :143.16
TPSA :78.4
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cc(C(=O)O)sn1
Melting Point :—
InChI Key : :YANZAAFELHVNQZ-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✓ 143.2 Da
LogP ≤ 5✓ 1.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i1.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 78.4Ų · 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.