N-tert-butyl-1,3-thiazol-2-amine

• ChemBase ID: 277974
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(nccs1)NC(C)(C)C
• Canonical SMILES: CC(Nc1nccs1)(C)C
• InChI: InChI=1S/C7H12N2S/c1-7(2,3)9-6-8-4-5-10-6/h4-5H,1-3H3,(H,8,9)
• InChIKey: DGDQQRYGBLAXPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-1,3-thiazol-2-amine
• IUPAC Traditional name: N-tert-butyl-1,3-thiazol-2-amine
• Synonyms: N-tert-butyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD17257397
• PubChem SID: 164333884
• PubChem CID: 12448551

CALCULATED PROPERTIES

• Acid pKa: 15.283899
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8322318
• LogD (pH = 7.4): 1.8428885
• Log P: 1.8430264
• Molar Refractivity: 44.7391 cm^3
• Polarizability: 16.603924 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 2.27

Product Information

• Purity: 95%