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

• ChemBase ID: 113654
• Molecular Formular: C11H8N2S
• Molecular Mass: 200.25962
• Monoisotopic Mass: 200.04081927
• SMILES: n1c(sc2c1ccc1c2cccc1)N
• Canonical SMILES: Nc1sc2c(n1)ccc1c2cccc1
• InChI: InChI=1S/C11H8N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H2,12,13)
• InChIKey: LYVQRUORYRZNMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphtho[2,1-d][1,3]thiazol-2-amine
• IUPAC Traditional name: naphtho[2,1-d][1,3]thiazol-2-amine
• Synonyms: naphtho[2,1-d][1,3]thiazol-2-amine; Naphtho[2,1-d]thiazol-2-ylamine

Database IDs

• CAS Number: 1203-55-0
• MDL Number: MFCD00185989
• PubChem SID: 162098776
• PubChem CID: 838513

CALCULATED PROPERTIES

• Acid pKa: 16.320778
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9302356
• LogD (pH = 7.4): 2.9579072
• Log P: 2.9582725
• Molar Refractivity: 57.7526 cm^3
• Polarizability: 24.339428 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.869
• Hydrophobicity(logP): 2.997

Product Information

• Purity: 95%; 95+%