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2-methyl-6-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}methyl)pyridine
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ChemBase ID:
323935
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Molecular Formular:
C19H23N5S
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Molecular Mass:
353.48442
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Monoisotopic Mass:
353.16741676
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SMILES and InChIs
SMILES:
c1(n(Cc2ncsc2)ccn1)C1CN(Cc2nc(ccc2)C)CCC1
Canonical SMILES:
Cc1cccc(n1)CN1CCCC(C1)c1nccn1Cc1cscn1
InChI:
InChI=1S/C19H23N5S/c1-15-4-2-6-17(22-15)11-23-8-3-5-16(10-23)19-20-7-9-24(19)12-18-13-25-14-21-18/h2,4,6-7,9,13-14,16H,3,5,8,10-12H2,1H3
InChIKey:
LHUBLCRUZBMNBH-UHFFFAOYSA-N
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Cite this record
CBID:323935 http://www.chembase.cn/molecule-323935.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-methyl-6-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}methyl)pyridine
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IUPAC Traditional name
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2-methyl-6-({3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl}methyl)pyridine
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Synonyms
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2-methyl-6-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}methyl)pyridine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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-0.64489895
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LogD (pH = 7.4)
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1.3640822
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Log P
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2.0284305
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Molar Refractivity
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99.7463 cm3
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Polarizability
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38.49122 Å3
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Polar Surface Area
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46.84 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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0
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Log P
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0.96
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LOG S
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-0.29
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Polar Surface Area
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46.84 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent