2-cyclopropyl-4-phenyl-1,3-thiazol-5-amine

• ChemBase ID: 239447
• Molecular Formular: C12H12N2S
• Molecular Mass: 216.30208
• Monoisotopic Mass: 216.07211939
• SMILES: n1c(sc(c1c1ccccc1)N)C1CC1
• Canonical SMILES: Nc1sc(nc1c1ccccc1)C1CC1
• InChI: InChI=1S/C12H12N2S/c13-11-10(8-4-2-1-3-5-8)14-12(15-11)9-6-7-9/h1-5,9H,6-7,13H2
• InChIKey: LZNOHTHSLCXQRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-4-phenyl-1,3-thiazol-5-amine
• IUPAC Traditional name: 2-cyclopropyl-4-phenyl-1,3-thiazol-5-amine
• Synonyms: 2-cyclopropyl-4-phenyl-1,3-thiazol-5-amine

Database IDs

• MDL Number: MFCD16670201
• PubChem SID: 164295357
• PubChem CID: 62076344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9024067
• LogD (pH = 7.4): 2.905012
• Log P: 2.9050453
• Molar Refractivity: 61.7308 cm^3
• Polarizability: 24.909405 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.27

Product Information

• Purity: 95%