bis(thiophen-2-yl)-1,3-thiazol-2-amine

• ChemBase ID: 230790
• Molecular Formular: C11H8N2S3
• Molecular Mass: 264.38962
• Monoisotopic Mass: 263.98496127
• SMILES: c1(c(sc(n1)N)c1sccc1)c1sccc1
• Canonical SMILES: Nc1sc(c(n1)c1cccs1)c1cccs1
• InChI: InChI=1S/C11H8N2S3/c12-11-13-9(7-3-1-5-14-7)10(16-11)8-4-2-6-15-8/h1-6H,(H2,12,13)
• InChIKey: LTSOKEYTZZBDFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(thiophen-2-yl)-1,3-thiazol-2-amine
• IUPAC Traditional name: bis(thiophen-2-yl)-1,3-thiazol-2-amine
• Synonyms: 4,5-Di-thiophen-2-yl-thiazol-2-ylamine

Database IDs

• MDL Number: MFCD03949054
• PubChem SID: 164286700
• PubChem CID: 2341200

CALCULATED PROPERTIES

• Acid pKa: 16.42767
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.716493
• LogD (pH = 7.4): 3.7186384
• Log P: 3.7186658
• Molar Refractivity: 68.9044 cm^3
• Polarizability: 28.469574 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 3.61

Product Information

• Purity: 95%