N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

• ChemBase ID: 757855
• Molecular Formular: C20H24N4S2
• Molecular Mass: 384.56136
• Monoisotopic Mass: 384.14423879
• SMILES: N1(c2ccc(c3ncsc3)cc2)CCC(CC1)NCCc1c(ncs1)C
• Canonical SMILES: Cc1ncsc1CCNC1CCN(CC1)c1ccc(cc1)c1cscn1
• InChI: InChI=1S/C20H24N4S2/c1-15-20(26-14-22-15)6-9-21-17-7-10-24(11-8-17)18-4-2-16(3-5-18)19-12-25-13-23-19/h2-5,12-14,17,21H,6-11H2,1H3
• InChIKey: DIBQSKQBHUNYHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
• Synonyms: N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,3-thiazol-4-yl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14139917
• LogD (pH = 7.4): 0.9751434
• Log P: 3.352653
• Molar Refractivity: 109.6776 cm^3
• Polarizability: 42.9161 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -3.65
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6