N-(2-methoxyethyl)-2,5-dimethyl-N-(propan-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 478623
• Molecular Formular: C12H20N2O2S
• Molecular Mass: 256.3644
• Monoisotopic Mass: 256.12454889
• SMILES: c1(C(=O)N(C(C)C)CCOC)nc(sc1C)C
• Canonical SMILES: COCCN(C(=O)c1nc(sc1C)C)C(C)C
• InChI: InChI=1S/C12H20N2O2S/c1-8(2)14(6-7-16-5)12(15)11-9(3)17-10(4)13-11/h8H,6-7H2,1-5H3
• InChIKey: HXQVEGFJCQDNMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2,5-dimethyl-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-isopropyl-N-(2-methoxyethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
• Synonyms: N-isopropyl-N-(2-methoxyethyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8111999
• LogD (pH = 7.4): 1.8112142
• Log P: 1.8112143
• Molar Refractivity: 69.4741 cm^3
• Polarizability: 26.255253 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.67
• LOG S: -1.64
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5