2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-amine

• ChemBase ID: 236685
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: c1(c(nc(s1)C)CC(C)C)N
• Canonical SMILES: CC(Cc1nc(sc1N)C)C
• InChI: InChI=1S/C8H14N2S/c1-5(2)4-7-8(9)11-6(3)10-7/h5H,4,9H2,1-3H3
• InChIKey: GLYIRRFLDLNWER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-amine
• IUPAC Traditional name: 2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-amine
• Synonyms: 2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-amine

Database IDs

• MDL Number: MFCD16669937
• PubChem SID: 164292595
• PubChem CID: 62082565

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6297176
• LogD (pH = 7.4): 1.65533
• Log P: 1.6556671
• Molar Refractivity: 47.9354 cm^3
• Polarizability: 18.280806 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.634

Product Information

• Purity: 95%