3-phenyl-1,2-thiazol-4-amine

• ChemBase ID: 283089
• Molecular Formular: C9H8N2S
• Molecular Mass: 176.23822
• Monoisotopic Mass: 176.04081927
• SMILES: c1(c(csn1)N)c1ccccc1
• Canonical SMILES: Nc1csnc1c1ccccc1
• InChI: InChI=1S/C9H8N2S/c10-8-6-12-11-9(8)7-4-2-1-3-5-7/h1-6H,10H2
• InChIKey: PREWHUSNSRNPLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-1,2-thiazol-4-amine
• IUPAC Traditional name: 3-phenyl-1,2-thiazol-4-amine
• Synonyms: 3-phenyl-1,2-thiazol-4-amine

Database IDs

• MDL Number: MFCD20441734
• PubChem SID: 180668620
• PubChem CID: 13612539

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1469605
• LogD (pH = 7.4): 2.1470084
• Log P: 2.147009
• Molar Refractivity: 51.4636 cm^3
• Polarizability: 20.190968 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.242

Product Information

• Purity: 95%