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

• ChemBase ID: 310389
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(scc1)CCCN
• Canonical SMILES: NCCCc1nccs1
• InChI: InChI=1S/C6H10N2S/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2
• InChIKey: FPKQNDZQVDBFLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 63779-34-0
• MDL Number: MFCD09891571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6666741
• LogD (pH = 7.4): -2.139096
• Log P: 0.35664743
• Molar Refractivity: 38.5212 cm^3
• Polarizability: 15.073797 Å^3
• Polar Surface Area: 38.91 Å^2