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

• ChemBase ID: 308828
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(c(sc1CCCN)C)C
• Canonical SMILES: NCCCc1sc(c(n1)C)C
• InChI: InChI=1S/C8H14N2S/c1-6-7(2)11-8(10-6)4-3-5-9/h3-5,9H2,1-2H3
• InChIKey: DTBFDCHQTALABK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethyl-1,3-thiazol-2-yl)propan-1-amine
• IUPAC Traditional name: 3-(dimethyl-1,3-thiazol-2-yl)propan-1-amine
• Synonyms: 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propanamine

Database IDs

• CAS Number: 1017153-61-5
• MDL Number: MFCD09891573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8949827
• LogD (pH = 7.4): -1.3619357
• Log P: 1.1338784
• Molar Refractivity: 48.169 cm^3
• Polarizability: 18.588514 Å^3
• Polar Surface Area: 38.91 Å^2