5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

• ChemBase ID: 272781
• Molecular Formular: C8H15N3S
• Molecular Mass: 185.2898
• Monoisotopic Mass: 185.0986685
• SMILES: c1(nc(c(s1)CCN)C)N(C)C
• Canonical SMILES: NCCc1sc(nc1C)N(C)C
• InChI: InChI=1S/C8H15N3S/c1-6-7(4-5-9)12-8(10-6)11(2)3/h4-5,9H2,1-3H3
• InChIKey: KSOZXLJHJRLKAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
• Synonyms: 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD18380756
• PubChem SID: 164328691
• PubChem CID: 50988945

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.899301
• LogD (pH = 7.4): -1.0627145
• Log P: 1.1025717
• Molar Refractivity: 52.8827 cm^3
• Polarizability: 19.808863 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.983

Product Information

• Purity: 95%