thieno[3,2-d][1,3]thiazol-2-amine

• ChemBase ID: 276501
• Molecular Formular: C5H4N2S2
• Molecular Mass: 156.22866
• Monoisotopic Mass: 155.98159014
• SMILES: s1c2c(nc1N)ccs2
• Canonical SMILES: Nc1nc2c(s1)scc2
• InChI: InChI=1S/C5H4N2S2/c6-5-7-3-1-2-8-4(3)9-5/h1-2H,(H2,6,7)
• InChIKey: LSMRPDKQKVTVNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382208
• PubChem SID: 164332411
• PubChem CID: 12415431

CALCULATED PROPERTIES

• Acid pKa: 15.966914
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1001883
• LogD (pH = 7.4): 2.1044862
• Log P: 2.1045413
• Molar Refractivity: 37.3327 cm^3
• Polarizability: 14.800639 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.62

Product Information

• Purity: 95%