4-methyl-1,3-thiazol-5-amine

• ChemBase ID: 238544
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: c1(scnc1C)N
• Canonical SMILES: Cc1ncsc1N
• InChI: InChI=1S/C4H6N2S/c1-3-4(5)7-2-6-3/h2H,5H2,1H3
• InChIKey: IQHFLJOHGQJKFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-thiazol-5-amine
• IUPAC Traditional name: 4-methyl-1,3-thiazol-5-amine
• Synonyms: 4-methyl-1,3-thiazol-5-amine

Database IDs

• MDL Number: MFCD13179592
• PubChem SID: 164294454
• PubChem CID: 12531960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.09405151
• LogD (pH = 7.4): 0.10039678
• Log P: 0.10047878
• Molar Refractivity: 29.7182 cm^3
• Polarizability: 11.028436 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.678

Product Information

• Purity: 95%