1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

• ChemBase ID: 270894
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(scc1C)C(N)CC
• Canonical SMILES: CCC(c1scc(n1)C)N
• InChI: InChI=1S/C7H12N2S/c1-3-6(8)7-9-5(2)4-10-7/h4,6H,3,8H2,1-2H3
• InChIKey: BTVXNMJCZCLBTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09891374
• PubChem SID: 164326804
• PubChem CID: 24261663

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.556892
• LogD (pH = 7.4): 0.09153938
• Log P: 1.0536302
• Molar Refractivity: 42.6762 cm^3
• Polarizability: 16.90969 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.775

Product Information

• Purity: 95%