5-(3-methylphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 286274
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(sc(cn1)c1cc(ccc1)C)N
• Canonical SMILES: Cc1cccc(c1)c1cnc(s1)N
• InChI: InChI=1S/C10H10N2S/c1-7-3-2-4-8(5-7)9-6-12-10(11)13-9/h2-6H,1H3,(H2,11,12)
• InChIKey: RRLCBATXGIBNIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12824102
• PubChem SID: 180671805
• PubChem CID: 46785024

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.5589557
• LogD (pH = 7.4): 2.6434994
• Log P: 2.6447155
• Molar Refractivity: 55.4016 cm^3
• Polarizability: 21.96353 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 17.138344
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.011

Product Information

• Purity: 95%