N-cyclopropyl-4-ethyl-2-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 727540
• Molecular Formular: C15H18N2OS2
• Molecular Mass: 306.44622
• Monoisotopic Mass: 306.08605521
• SMILES: c1(C(=O)N(C2CC2)Cc2cscc2)c(nc(s1)C)CC
• Canonical SMILES: CCc1nc(sc1C(=O)N(C1CC1)Cc1cscc1)C
• InChI: InChI=1S/C15H18N2OS2/c1-3-13-14(20-10(2)16-13)15(18)17(12-4-5-12)8-11-6-7-19-9-11/h6-7,9,12H,3-5,8H2,1-2H3
• InChIKey: DXQWAFXOKSWANI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-ethyl-2-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-cyclopropyl-4-ethyl-2-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
• Synonyms: N-cyclopropyl-4-ethyl-2-methyl-N-(3-thienylmethyl)-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9878452
• LogD (pH = 7.4): 2.9879198
• Log P: 2.9879208
• Molar Refractivity: 82.511 cm^3
• Polarizability: 31.226505 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.13
• LOG S: -3.25
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5