2-phenyl-1,3-thiazol-5-amine

• ChemBase ID: 245881
• Molecular Formular: C9H8N2S
• Molecular Mass: 176.23822
• Monoisotopic Mass: 176.04081927
• SMILES: s1c(ncc1N)c1ccccc1
• Canonical SMILES: Nc1cnc(s1)c1ccccc1
• InChI: InChI=1S/C9H8N2S/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,10H2
• InChIKey: CFLMSQYWGWBIHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1,3-thiazol-5-amine
• IUPAC Traditional name: 2-phenyl-1,3-thiazol-5-amine
• Synonyms: 2-phenyl-1,3-thiazol-5-amine

Database IDs

• MDL Number: MFCD11847092
• PubChem SID: 164301791
• PubChem CID: 13152222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9892716
• LogD (pH = 7.4): 1.9938205
• Log P: 1.9938788
• Molar Refractivity: 60.2283 cm^3
• Polarizability: 19.506542 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.327

Product Information

• Purity: 95%