2-(morpholin-4-yl)-1,3-thiazol-4-amine

• ChemBase ID: 50935
• Molecular Formular: C7H11N3OS
• Molecular Mass: 185.24674
• Monoisotopic Mass: 185.06228299
• SMILES: n1c(scc1N)N1CCOCC1
• Canonical SMILES: Nc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C7H11N3OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4,8H2
• InChIKey: HGXLNZXTYOPVHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1,3-thiazol-4-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-1,3-thiazol-4-amine
• Synonyms: 2-Morpholin-4-yl-thiazol-4-ylamine

Database IDs

• CAS Number: 695147-00-3
• MDL Number: MFCD09880912
• PubChem SID: 162055698
• PubChem CID: 33702222

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.96923465
• LogD (pH = 7.4): 0.9713367
• Log P: 0.9713636
• Molar Refractivity: 49.2567 cm^3
• Polarizability: 17.761175 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false