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2-[1-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}sulfonyl)-1H-indol-3-yl]ethan-1-amine

ChemBase ID: 130180
Molecular Formular: C15H13ClN4O2S2
Molecular Mass: 380.87232
Monoisotopic Mass: 380.01684536
SMILES and InChIs

SMILES:
NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
Canonical SMILES:
NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2
InChI:
InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
InChIKey:
RYBOXBBYCVOYNO-UHFFFAOYSA-N

Cite this record

CBID:130180 http://www.chembase.cn/molecule-130180.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[1-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}sulfonyl)-1H-indol-3-yl]ethan-1-amine
IUPAC Traditional name
2-(1-{6-chloroimidazo[2,1-b][1,3]thiazol-5-ylsulfonyl}indol-3-yl)ethanamine
Synonyms
WAY-181,187
CAS Number
?
PubChem SID
162224464
PubChem CID
10150497
CHEMBL
392760
Wikipedia Title
WAY-181,187

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9305394  LogD (pH = 7.4) 0.39604408 
Log P 2.3838  Molar Refractivity 105.967 cm3
Polarizability 38.047337 Å3 Polar Surface Area 82.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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