N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 229845
• Molecular Formular: C10H12N2OS
• Molecular Mass: 208.28008
• Monoisotopic Mass: 208.06703401
• SMILES: C1(=NCCS1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC1=NCCS1
• InChI: InChI=1S/C10H12N2OS/c1-13-9-4-2-8(3-5-9)12-10-11-6-7-14-10/h2-5H,6-7H2,1H3,(H,11,12)
• InChIKey: WEOIFJBMNPJTJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: (4,5-Dihydro-thiazol-2-yl)-(4-methoxy-phenyl)-amine

Database IDs

• CAS Number: 56242-67-2
• MDL Number: MFCD01848366
• PubChem SID: 164285755
• PubChem CID: 291787

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0413338
• LogD (pH = 7.4): 2.1554925
• Log P: 2.2323327
• Molar Refractivity: 60.4915 cm^3
• Polarizability: 22.588802 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.038

Product Information

• Purity: 95%