N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 541092
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c1(sc(nc1)CN1CCCC1)C(=O)N(CCn1ccc2c1cccc2)C
• Canonical SMILES: CN(C(=O)c1cnc(s1)CN1CCCC1)CCn1ccc2c1cccc2
• InChI: InChI=1S/C20H24N4OS/c1-22(12-13-24-11-8-16-6-2-3-7-17(16)24)20(25)18-14-21-19(26-18)15-23-9-4-5-10-23/h2-3,6-8,11,14H,4-5,9-10,12-13,15H2,1H3
• InChIKey: ZUUUOQGAELZYOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-[2-(indol-1-yl)ethyl]-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
• Synonyms: N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5533134
• LogD (pH = 7.4): 2.5538025
• Log P: 2.60699
• Molar Refractivity: 105.4052 cm^3
• Polarizability: 41.28024 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.48
• LOG S: -4.0
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6