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

• ChemBase ID: 82172
• Molecular Formular: C16H12N2S
• Molecular Mass: 264.34488
• Monoisotopic Mass: 264.07211939
• SMILES: n1c(scc1c1ccc2c(c1)Cc1c2cccc1)N
• Canonical SMILES: Nc1scc(n1)c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C16H12N2S/c17-16-18-15(9-19-16)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8-9H,7H2,(H2,17,18)
• InChIKey: ILZSNYCMULKIOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 299438-56-5
• MDL Number: MFCD00806357
• PubChem SID: 162069291
• PubChem CID: 736708

CALCULATED PROPERTIES

• Acid pKa: 16.05639
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2707524
• LogD (pH = 7.4): 4.2860136
• Log P: 4.286212
• Molar Refractivity: 79.0197 cm^3
• Polarizability: 32.26433 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 4.209

Product Information

• Purity: 95%