[(4-methyl-1,3-thiazol-2-yl)methyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 284142
• Molecular Formular: C10H16N2OS
• Molecular Mass: 212.31184
• Monoisotopic Mass: 212.09833414
• SMILES: n1c(scc1C)CNCC1OCCC1
• Canonical SMILES: Cc1csc(n1)CNCC1CCCO1
• InChI: InChI=1S/C10H16N2OS/c1-8-7-14-10(12-8)6-11-5-9-3-2-4-13-9/h7,9,11H,2-6H2,1H3
• InChIKey: LYSRGWCTNHIBCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methyl-1,3-thiazol-2-yl)methyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [(4-methyl-1,3-thiazol-2-yl)methyl](oxolan-2-ylmethyl)amine
• Synonyms: [(4-methyl-1,3-thiazol-2-yl)methyl](oxolan-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD06740590
• PubChem SID: 180669673
• PubChem CID: 4777610

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3531358
• LogD (pH = 7.4): 0.3363635
• Log P: 0.8135131
• Molar Refractivity: 56.6876 cm^3
• Polarizability: 22.409918 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.966

Product Information

• Purity: 95%