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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 Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

i
✓ PASS
MW ≤ 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

i
82/100

Good drug-like profile

Predicted LogP

i
2.30log units

Optimal range (0–3)

CNS Permeability

i

Clark 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.