1-(2-cyclopropyl-1,3-thiazol-4-yl)ethan-1-amine

• ChemBase ID: 273976
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: n1c(scc1C(N)C)C1CC1
• Canonical SMILES: CC(c1csc(n1)C1CC1)N
• InChI: InChI=1S/C8H12N2S/c1-5(9)7-4-11-8(10-7)6-2-3-6/h4-6H,2-3,9H2,1H3
• InChIKey: SUBNTGXHPLIXMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-cyclopropyl-1,3-thiazol-4-yl)ethan-1-amine
• IUPAC Traditional name: 1-(2-cyclopropyl-1,3-thiazol-4-yl)ethanamine
• Synonyms: 1-(2-cyclopropyl-1,3-thiazol-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD16481376
• PubChem SID: 164329886
• PubChem CID: 54592988

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4110907
• LogD (pH = 7.4): 0.17146105
• Log P: 1.3109041
• Molar Refractivity: 45.5514 cm^3
• Polarizability: 18.024202 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%