5-methylthieno[2,3-d][1,3]thiazol-2-amine

• ChemBase ID: 235945
• Molecular Formular: C6H6N2S2
• Molecular Mass: 170.25524
• Monoisotopic Mass: 169.9972402
• SMILES: n1c2c(sc1N)cc(s2)C
• Canonical SMILES: Cc1sc2c(c1)sc(n2)N
• InChI: InChI=1S/C6H6N2S2/c1-3-2-4-5(9-3)8-6(7)10-4/h2H,1H3,(H2,7,8)
• InChIKey: ATPFNGXOEOASDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylthieno[2,3-d][1,3]thiazol-2-amine
• IUPAC Traditional name: 5-methylthieno[2,3-d][1,3]thiazol-2-amine
• Synonyms: 5-methylthieno[2,3-d][1,3]thiazol-2-amine

Database IDs

• MDL Number: MFCD20706929
• PubChem SID: 164291855
• PubChem CID: 598456

CALCULATED PROPERTIES

• Acid pKa: 16.0008
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.482234
• LogD (pH = 7.4): 2.482809
• Log P: 2.4828165
• Molar Refractivity: 43.5732 cm^3
• Polarizability: 16.549513 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 2.119

Product Information

• Purity: 95%