[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanamine

• ChemBase ID: 307149
• Molecular Formular: C8H13N3OS
• Molecular Mass: 199.27332
• Monoisotopic Mass: 199.07793305
• SMILES: c1(nc(cs1)CN)N1CCOCC1
• Canonical SMILES: NCc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C8H13N3OS/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11/h6H,1-5,9H2
• InChIKey: URQKRXGKCDVSGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanamine
• IUPAC Traditional name: [2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanamine
• Synonyms: 1-[2-(4-morpholinyl)-1,3-thiazol-4-yl]methanamine

Database IDs

• CAS Number: 1023811-09-7
• MDL Number: MFCD09880812

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2012832
• LogD (pH = 7.4): -0.5544875
• Log P: 0.41307235
• Molar Refractivity: 52.194 cm^3
• Polarizability: 19.970785 Å^3
• Polar Surface Area: 51.38 Å^2