1,3-thiazol-5-amine

• ChemBase ID: 77968
• Molecular Formular: C3H4N2S
• Molecular Mass: 100.14226
• Monoisotopic Mass: 100.00951914
• SMILES: s1cncc1N
• Canonical SMILES: Nc1cncs1
• InChI: InChI=1S/C3H4N2S/c4-3-1-5-2-6-3/h1-2H,4H2
• InChIKey: LKFXYYLRIUSARI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazol-5-amine
• IUPAC Traditional name: 1,3-thiazol-5-amine
• Synonyms: 1,3-Thiazol-5-amine; 5-Amino-1,3-thiazole; 5-ThiazolaMine

Database IDs

• CAS Number: 17721-00-5
• MDL Number: MFCD09834069
• PubChem SID: 162042807
• PubChem CID: 12416330

CALCULATED PROPERTIES

• Acid pKa: 19.62839
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.032856338
• LogD (pH = 7.4): -0.030916803
• Log P: -0.030891387
• Molar Refractivity: 25.1267 cm^3
• Polarizability: 9.283823 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 97%