4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 266774
• Molecular Formular: C7H13N3S
• Molecular Mass: 171.26322
• Monoisotopic Mass: 171.08301843
• SMILES: c1(nc(cs1)CCN)N(C)C
• Canonical SMILES: NCCc1csc(n1)N(C)C
• InChI: InChI=1S/C7H13N3S/c1-10(2)7-9-6(3-4-8)5-11-7/h5H,3-4,8H2,1-2H3
• InChIKey: QKGBVDNCHIWTSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
• Synonyms: 4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD16040055
• PubChem SID: 164322684
• PubChem CID: 15017654

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1227615
• LogD (pH = 7.4): -1.2082478
• Log P: 0.8685855
• Molar Refractivity: 47.8189 cm^3
• Polarizability: 18.051046 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.534

Product Information

• Purity: 95%