4-tert-butyl-1,3-thiazol-5-amine

• ChemBase ID: 286410
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(c(scn1)N)C(C)(C)C
• Canonical SMILES: CC(c1ncsc1N)(C)C
• InChI: InChI=1S/C7H12N2S/c1-7(2,3)5-6(8)10-4-9-5/h4H,8H2,1-3H3
• InChIKey: XVKBPZPWNOQYQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butyl-1,3-thiazol-5-amine
• IUPAC Traditional name: 4-tert-butyl-1,3-thiazol-5-amine
• Synonyms: 4-tert-butyl-1,3-thiazol-5-amine

Database IDs

• MDL Number: MFCD16669893
• PubChem SID: 180671941
• PubChem CID: 62082370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8959714
• LogD (pH = 7.4): 1.8999639
• Log P: 1.9000152
• Molar Refractivity: 43.4206 cm^3
• Polarizability: 16.523483 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.005

Product Information

• Purity: 95%