5-(propan-2-yl)-1,3-thiazol-2-amine

• ChemBase ID: 283067
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: c1(sc(cn1)C(C)C)N
• Canonical SMILES: CC(c1cnc(s1)N)C
• InChI: InChI=1S/C6H10N2S/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3,(H2,7,8)
• InChIKey: MENMPXBUKLPJKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-isopropyl-1,3-thiazol-2-amine
• Synonyms: 5-isopropyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD13185908
• PubChem SID: 180668598
• PubChem CID: 10486954

CALCULATED PROPERTIES

• Acid pKa: 17.655731
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6125041
• LogD (pH = 7.4): 1.8601966
• Log P: 1.8648112
• Molar Refractivity: 39.492 cm^3
• Polarizability: 14.690193 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.841

Product Information

• Purity: 95%