4-(9H-fluoren-3-yl)-1,3-thiazol-2-amine

• ChemBase ID: 244009
• Molecular Formular: C16H12N2S
• Molecular Mass: 264.34488
• Monoisotopic Mass: 264.07211939
• SMILES: n1c(csc1N)c1cc2c3c(Cc2cc1)cccc3
• Canonical SMILES: Nc1scc(n1)c1ccc2c(c1)c1ccccc1C2
• InChI: InChI=1S/C16H12N2S/c17-16-18-15(9-19-16)12-6-5-11-7-10-3-1-2-4-13(10)14(11)8-12/h1-6,8-9H,7H2,(H2,17,18)
• InChIKey: LTQJZSRNRYWUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(9H-fluoren-3-yl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(9H-fluoren-3-yl)-1,3-thiazol-2-amine
• Synonyms: 4-(9H-fluoren-3-yl)-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD05511009
• PubChem SID: 164299919
• PubChem CID: 2648092

CALCULATED PROPERTIES

• Acid pKa: 16.149202
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.270721
• LogD (pH = 7.4): 4.286013
• Log P: 4.286212
• Molar Refractivity: 79.0197 cm^3
• Polarizability: 32.26374 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.26

Product Information

• Purity: 95%