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6-(2,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

ChemBase ID: 410277
Molecular Formular: C23H23N3OS
Molecular Mass: 389.51322
Monoisotopic Mass: 389.15618337
SMILES and InChIs

SMILES:
n12c(C(=O)N(CCc3ccccc3)C)csc1nc(c2)c1c(ccc(c1)C)C
Canonical SMILES:
Cc1ccc(c(c1)c1cn2c(n1)scc2C(=O)N(CCc1ccccc1)C)C
InChI:
InChI=1S/C23H23N3OS/c1-16-9-10-17(2)19(13-16)20-14-26-21(15-28-23(26)24-20)22(27)25(3)12-11-18-7-5-4-6-8-18/h4-10,13-15H,11-12H2,1-3H3
InChIKey:
PLYQRZBPVYSBSU-UHFFFAOYSA-N

Cite this record

CBID:410277 http://www.chembase.cn/molecule-410277.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
IUPAC Traditional name
6-(2,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
Synonyms
6-(2,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)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) 5.0827184  LogD (pH = 7.4) 5.084277 
Log P 5.084297  Molar Refractivity 126.4759 cm3
Polarizability 44.42695 Å3 Polar Surface Area 37.61 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 4.56  LOG S -6.99 
Polar Surface Area 37.61 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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