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

• ChemBase ID: 277389
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: c1(nccs1)C(N)CC
• Canonical SMILES: CCC(c1nccs1)N
• InChI: InChI=1S/C6H10N2S/c1-2-5(7)6-8-3-4-9-6/h3-5H,2,7H2,1H3
• InChIKey: YKGZPHYTHVAUGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 473733-53-8
• MDL Number: MFCD09693913
• PubChem SID: 164333299
• PubChem CID: 16494961

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5769072
• LogD (pH = 7.4): 0.105086654
• Log P: 0.9222601
• Molar Refractivity: 38.0847 cm^3
• Polarizability: 15.15427 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.276

Product Information

• Purity: 95%