4-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine

• ChemBase ID: 284342
• Molecular Formular: C10H17N3OS
• Molecular Mass: 227.32648
• Monoisotopic Mass: 227.10923318
• SMILES: c1(nc(cs1)C)NCC1OCCN(C1)C
• Canonical SMILES: CN1CCOC(C1)CNc1scc(n1)C
• InChI: InChI=1S/C10H17N3OS/c1-8-7-15-10(12-8)11-5-9-6-13(2)3-4-14-9/h7,9H,3-6H2,1-2H3,(H,11,12)
• InChIKey: TYYZSBYAQLYASH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21649135
• PubChem SID: 180669873
• PubChem CID: 73994621

CALCULATED PROPERTIES

• Acid pKa: 14.908318
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.223369
• LogD (pH = 7.4): 0.7335365
• Log P: 0.78034806
• Molar Refractivity: 62.2888 cm^3
• Polarizability: 23.55531 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.634

Product Information

• Purity: 95%