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6-(4-chlorophenyl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

ChemBase ID: 340117
Molecular Formular: C20H17ClN4OS
Molecular Mass: 396.89318
Monoisotopic Mass: 396.08115986
SMILES and InChIs

SMILES:
n12c(C(=O)N(CCc3ncccc3)C)csc1nc(c2)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)c1cn2c(n1)scc2C(=O)N(CCc1ccccn1)C
InChI:
InChI=1S/C20H17ClN4OS/c1-24(11-9-16-4-2-3-10-22-16)19(26)18-13-27-20-23-17(12-25(18)20)14-5-7-15(21)8-6-14/h2-8,10,12-13H,9,11H2,1H3
InChIKey:
QWYLAAAZHWLCIF-UHFFFAOYSA-N

Cite this record

CBID:340117 http://www.chembase.cn/molecule-340117.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(4-chlorophenyl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
IUPAC Traditional name
6-(4-chlorophenyl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
Synonyms
6-(4-chlorophenyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.428072  LogD (pH = 7.4) 3.4730453 
Log P 3.47365  Molar Refractivity 118.4636 cm3
Polarizability 41.84741 Å3 Polar Surface Area 50.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.08  LOG S -6.21 
Polar Surface Area 50.5 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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