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

• ChemBase ID: 268244
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(scc1C)CCCN
• Canonical SMILES: Cc1csc(n1)CCCN
• InChI: InChI=1S/C7H12N2S/c1-6-5-10-7(9-6)3-2-4-8/h5H,2-4,8H2,1H3
• InChIKey: JIXXWWDGEMQMCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 112086-66-5
• MDL Number: MFCD09891572
• PubChem SID: 164324154
• PubChem CID: 15034992

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5345068
• LogD (pH = 7.4): -2.0077157
• Log P: 0.4880176
• Molar Refractivity: 43.1127 cm^3
• Polarizability: 16.828869 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.655

Product Information

• Purity: 95%