4-[(3S)-3-ethylmorpholine-4-carbonyl]-N-methyl-1,3-thiazol-2-amine

• ChemBase ID: 710837
• Molecular Formular: C11H17N3O2S
• Molecular Mass: 255.33658
• Monoisotopic Mass: 255.1041478
• SMILES: c1(C(=O)N2[C@H](COCC2)CC)nc(sc1)NC
• Canonical SMILES: CC[C@H]1COCCN1C(=O)c1csc(n1)NC
• InChI: InChI=1S/C11H17N3O2S/c1-3-8-6-16-5-4-14(8)10(15)9-7-17-11(12-2)13-9/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
• InChIKey: CKODQYLMPATSDC-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3S)-3-ethylmorpholine-4-carbonyl]-N-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-[(3S)-3-ethylmorpholine-4-carbonyl]-N-methyl-1,3-thiazol-2-amine
• Synonyms: 4-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-N-methyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.207014
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1934986
• LogD (pH = 7.4): 1.1935064
• Log P: 1.1935065
• Molar Refractivity: 67.4506 cm^3
• Polarizability: 25.021679 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.73
• LOG S: -1.75
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3