methyl({[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl})amine

• ChemBase ID: 306696
• Molecular Formular: C9H10N2S2
• Molecular Mass: 210.3191
• Monoisotopic Mass: 210.02854033
• SMILES: c1(nc(cs1)CNC)c1sccc1
• Canonical SMILES: CNCc1csc(n1)c1cccs1
• InChI: InChI=1S/C9H10N2S2/c1-10-5-7-6-13-9(11-7)8-3-2-4-12-8/h2-4,6,10H,5H2,1H3
• InChIKey: LTAGBMOGFFGWBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl})amine
• IUPAC Traditional name: methyl({[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl})amine
• Synonyms: N-methyl-1-[2-(2-thienyl)-1,3-thiazol-4-yl]methanamine

Database IDs

• CAS Number: 933701-68-9
• MDL Number: MFCD09055215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.52661574
• LogD (pH = 7.4): 1.2012786
• Log P: 2.0737777
• Molar Refractivity: 65.9837 cm^3
• Polarizability: 22.259035 Å^3
• Polar Surface Area: 24.92 Å^2