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

• ChemBase ID: 235134
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(ncc(s1)C)C(N)(C)C
• Canonical SMILES: Cc1cnc(s1)C(N)(C)C
• InChI: InChI=1S/C7H12N2S/c1-5-4-9-6(10-5)7(2,3)8/h4H,8H2,1-3H3
• InChIKey: BKAARAYQIPOVLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12138222
• PubChem SID: 164291044
• PubChem CID: 43559029

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.200529
• LogD (pH = 7.4): 0.41239646
• Log P: 1.4783645
• Molar Refractivity: 43.3303 cm^3
• Polarizability: 16.913284 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.645

Product Information

• Purity: 95%