Thiadiazole-5-carboxylic acid
CAS No.：
Cat. No.: SC251385
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Product Name :Thiadiazole-5-carboxylic acid
Cat. No.: :SC251385
Purity / Specification :—
CAS No. :4833-09-4
MDL No. :—
Molecular Formula :C3H2N2O2S
LogP :0.30
Molecular Weight :130.12
TPSA :91.3
Category :CRO / Contract Research
HSN Code :—
SMILES Code :O=C(O)c1cnns1
Melting Point :—
InChI Key : :BXCZJWHJYRELHY-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✓ 130.1 Da
LogP ≤ 5✓ 0.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i58/100
Moderate — typical building block
Predicted LogP
i0.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 91.3Ų · 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.