4-[(2S)-2-ethyl-2-methyloxan-4-yl]-1,3-thiazol-2-amine

• ChemBase ID: 188431
• Molecular Formular: C11H18N2OS
• Molecular Mass: 226.33842
• Monoisotopic Mass: 226.11398421
• SMILES: n1c(csc1N)C1C[C@@](OCC1)(CC)C
• Canonical SMILES: CC[C@]1(C)OCCC(C1)c1csc(n1)N
• InChI: InChI=1S/C11H18N2OS/c1-3-11(2)6-8(4-5-14-11)9-7-15-10(12)13-9/h7-8H,3-6H2,1-2H3,(H2,12,13)/t8?,11-/m0/s1
• InChIKey: AECHTYJNUUZQBK-LYNSQETBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2S)-2-ethyl-2-methyloxan-4-yl]-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-[(2S)-2-ethyl-2-methyloxan-4-yl]-1,3-thiazol-2-amine

Database IDs

• PubChem SID: 164244341
• PubChem CID: 16397086

CALCULATED PROPERTIES

• Acid pKa: 16.921335
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1846035
• LogD (pH = 7.4): 2.2583804
• Log P: 2.2594128
• Molar Refractivity: 62.3633 cm^3
• Polarizability: 23.860289 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Rare Derivatives of Natural Compounds