[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine dihydrochloride

• ChemBase ID: 88295
• Molecular Formular: C9H12Cl2N2S2
• Molecular Mass: 283.24098
• Monoisotopic Mass: 281.98189575
• SMILES: n1c(scc1c1ccc(s1)CN)C.Cl.Cl
• Canonical SMILES: NCc1ccc(s1)c1csc(n1)C.Cl.Cl
• InChI: InChI=1S/C9H10N2S2.2ClH/c1-6-11-8(5-12-6)9-3-2-7(4-10)13-9;;/h2-3,5H,4,10H2,1H3;2*1H
• InChIKey: MEUGRQXKXWDEPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine dihydrochloride
• IUPAC Traditional name: [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine dihydrochloride
• Synonyms: 2-(Aminomethyl)-[5-(2-methyl-1,3-thiazol-4-yl)thiophene dihydrochloride, [5-(2-Methyl-1,3-thiazol-4-yl)thien-2-yl]methylamine dihydrochloride; 4-[5-(Aminomethyl)thien-2-yl]-2-methyl-1,3-thiazole dihydrochloride

Database IDs

• MDL Number: MFCD07704030
• PubChem SID: 162075272
• PubChem CID: 24252518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9907632
• LogD (pH = 7.4): 0.49553058
• Log P: 1.823535
• Molar Refractivity: 55.6187 cm^3
• Polarizability: 22.842735 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold