5-methoxy-1,3-thiazol-2-amine

• ChemBase ID: 249260
• Molecular Formular: C4H6N2OS
• Molecular Mass: 130.16824
• Monoisotopic Mass: 130.02008382
• SMILES: s1c(ncc1OC)N
• Canonical SMILES: COc1cnc(s1)N
• InChI: InChI=1S/C4H6N2OS/c1-7-3-2-6-4(5)8-3/h2H,1H3,(H2,5,6)
• InChIKey: OZNOHWKQLWLLAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-methoxy-1,3-thiazol-2-amine
• Synonyms: 5-methoxy-1,3-thiazol-2-amine; 2-AMINO-5-METHOXYTHIAZOLE

Database IDs

• CAS Number: 59019-85-1
• MDL Number: MFCD01630757
• PubChem SID: 164305170
• PubChem CID: 20316283

CALCULATED PROPERTIES

• Acid pKa: 17.290504
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4817402
• LogD (pH = 7.4): 0.49550843
• Log P: 0.49568737
• Molar Refractivity: 31.0632 cm^3
• Polarizability: 11.853911 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.66

Product Information

• Purity: 95%; 98%