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

• ChemBase ID: 308722
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(sc(c1C)C)C(N)CC
• Canonical SMILES: CCC(c1sc(c(n1)C)C)N
• InChI: InChI=1S/C8H14N2S/c1-4-7(9)8-10-5(2)6(3)11-8/h7H,4,9H2,1-3H3
• InChIKey: HOXJDEYOCZAXRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1017132-19-2
• MDL Number: MFCD09891375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9847471
• LogD (pH = 7.4): 0.6248254
• Log P: 1.6994911
• Molar Refractivity: 47.7325 cm^3
• Polarizability: 18.669523 Å^3
• Polar Surface Area: 38.91 Å^2