4-(2-methoxyphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 17439
• Molecular Formular: C10H10N2OS
• Molecular Mass: 206.2642
• Monoisotopic Mass: 206.05138395
• SMILES: c1(c2nc(sc2)N)c(cccc1)OC
• Canonical SMILES: COc1ccccc1c1csc(n1)N
• InChI: InChI=1S/C10H10N2OS/c1-13-9-5-3-2-4-7(9)8-6-14-10(11)12-8/h2-6H,1H3,(H2,11,12)
• InChIKey: DVVAVWNGAFFCNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(2-methoxyphenyl)-1,3-thiazol-2-amine
• Synonyms: 4-(2-Methoxy-phenyl)-thiazol-2-ylamine; 4-(2-methoxyphenyl)-1,3-thiazol-2-amine; 4-(2-methoxyphenyl)thiazol-2-amine

Database IDs

• CAS Number: 93209-95-1
• MDL Number: MFCD01535790
• PubChem SID: 160980746
• PubChem CID: 735252

CALCULATED PROPERTIES

• Acid pKa: 16.644014
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3502457
• LogD (pH = 7.4): 2.362607
• Log P: 2.362767
• Molar Refractivity: 56.6675 cm^3
• Polarizability: 22.700407 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.727

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%