N-[3-(1H-pyrazol-1-yl)propyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

• ChemBase ID: 748736
• Molecular Formular: C20H25N5S
• Molecular Mass: 367.511
• Monoisotopic Mass: 367.18306683
• SMILES: N1(c2cc(c3ncsc3)ccc2)CCC(CC1)NCCCn1nccc1
• Canonical SMILES: C(NC1CCN(CC1)c1cccc(c1)c1cscn1)CCn1cccn1
• InChI: InChI=1S/C20H25N5S/c1-4-17(20-15-26-16-22-20)14-19(5-1)24-12-6-18(7-13-24)21-8-2-10-25-11-3-9-23-25/h1,3-5,9,11,14-16,18,21H,2,6-8,10,12-13H2
• InChIKey: TZTJOAZYXJQLHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-pyrazol-1-yl)propyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-[3-(pyrazol-1-yl)propyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
• Synonyms: N-[3-(1H-pyrazol-1-yl)propyl]-1-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5352469
• LogD (pH = 7.4): -0.107166536
• Log P: 2.706457
• Molar Refractivity: 118.4734 cm^3
• Polarizability: 42.052177 Å^3
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.89
• LOG S: -3.34
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 7