Tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CAS No.:
Cat. No.: SC18003
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Product Name :Tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
Cat. No.: :SC18003
Purity / Specification :—
CAS No. :936361-25-0
MDL No. :MFCD22565879
Molecular Formula :C9H14N2O2S
LogP :2.30
Molecular Weight :214.28
TPSA :79.5
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1ncc(NC(=O)OC(C)(C)C)s1
Melting Point :—
InChI Key : :LTEBHMFRYPZULH-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✓ 214.3 Da
LogP ≤ 5✓ 2.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i82/100
Good drug-like profile
Predicted LogP
i2.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 79.5Ų · 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.
