4H,5H-naphtho[2,1-d][1,3]thiazol-2-amine

• ChemBase ID: 311150
• Molecular Formular: C11H10N2S
• Molecular Mass: 202.2755
• Monoisotopic Mass: 202.05646933
• SMILES: c12c(nc(s1)N)CCc1c2cccc1
• Canonical SMILES: Nc1sc2c(n1)CCc1c2cccc1
• InChI: InChI=1S/C11H10N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-4H,5-6H2,(H2,12,13)
• InChIKey: NBJZFXQLZREGNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H-naphtho[2,1-d][1,3]thiazol-2-amine
• IUPAC Traditional name: 4H,5H-naphtho[2,1-d][1,3]thiazol-2-amine
• Synonyms: 4,5-dihydronaphtho[2,1-d][1,3]thiazol-2-amine

Database IDs

• CAS Number: 401622-74-0
• MDL Number: MFCD02209090

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.5134504
• LogD (pH = 7.4): 2.5675883
• Log P: 2.568327
• Molar Refractivity: 58.2168 cm^3
• Polarizability: 22.982327 Å^3
• Polar Surface Area: 38.91 Å^2
• H Acceptors: 2