Tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

CAS No.：

Cat. No.: SC23209

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Product Name :Tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

Cat. No.: :SC23209

Purity / Specification :—

CAS No. :869901-02-0

MDL No. :MFCD06658981

Molecular Formula :C₁₄H₂₀N₂O₃S

LogP :2.20

Molecular Weight :296.38

TPSA :87.7

Category :API Intermediates

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)N1CCC(c2nc(C=O)cs2)CC1

Melting Point :—

InChI Key : :XLGKMJFDRZHAEV-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 296.4 Da

LogP ≤ 5✓ 2.20

HBD ≤ 5✓ 0

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

95/100

Excellent drug-like profile

Predicted LogP

2.20log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 87.7Å² · 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.