methyl({[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl})amine

• ChemBase ID: 75998
• Molecular Formular: C9H15N3OS
• Molecular Mass: 213.2999
• Monoisotopic Mass: 213.09358312
• SMILES: n1c(N2CCOCC2)scc1CNC
• Canonical SMILES: CNCc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C9H15N3OS/c1-10-6-8-7-14-9(11-8)12-2-4-13-5-3-12/h7,10H,2-6H2,1H3
• InChIKey: QOWGXNCFGPNQIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl})amine
• IUPAC Traditional name: methyl({[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl})amine
• Synonyms: N-methyl-(2-morpholino-1,3-thiazol-4-yl)methylamine; N-Methyl-1-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methylamine; 4-[(Methylamino)methyl]-2-(morpholin-4-yl)-1,3-thiazole

Database IDs

• CAS Number: 915707-64-1
• MDL Number: MFCD09817539
• PubChem SID: 162040916
• PubChem CID: 24229700

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.680695
• LogD (pH = 7.4): 0.052972984
• Log P: 0.8456527
• Molar Refractivity: 56.9686 cm^3
• Polarizability: 21.801765 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%