N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 229688
• Molecular Formular: C13H18N2OS
• Molecular Mass: 250.35982
• Monoisotopic Mass: 250.11398421
• SMILES: C1(=NC(CS1)(C)C)Nc1c(ccc(c1)C)OC
• Canonical SMILES: COc1ccc(cc1NC1=NC(CS1)(C)C)C
• InChI: InChI=1S/C13H18N2OS/c1-9-5-6-11(16-4)10(7-9)14-12-15-13(2,3)8-17-12/h5-7H,8H2,1-4H3,(H,14,15)
• InChIKey: BYDDDLOHMINCJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
• Synonyms: (4,4-Dimethyl-4,5-dihydro-thiazol-2-yl)-(2-methoxy-5-methyl-phenyl)-amine

Database IDs

• MDL Number: MFCD03152621
• PubChem SID: 164285598
• PubChem CID: 2345334

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.325893
• LogD (pH = 7.4): 3.4412165
• Log P: 3.442906
• Molar Refractivity: 74.5897 cm^3
• Polarizability: 28.039402 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.159

Product Information

• Purity: 95%