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4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]thiomorpholine

ChemBase ID: 470651
Molecular Formular: C16H14ClN3OS2
Molecular Mass: 363.88486
Monoisotopic Mass: 363.02668176
SMILES and InChIs

SMILES:
n12c(C(=O)N3CCSCC3)csc1nc(c2)c1c(Cl)cccc1
Canonical SMILES:
O=C(c1csc2n1cc(n2)c1ccccc1Cl)N1CCSCC1
InChI:
InChI=1S/C16H14ClN3OS2/c17-12-4-2-1-3-11(12)13-9-20-14(10-23-16(20)18-13)15(21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2
InChIKey:
WCZANWOYHRGXKG-UHFFFAOYSA-N

Cite this record

CBID:470651 http://www.chembase.cn/molecule-470651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]thiomorpholine
IUPAC Traditional name
4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]thiomorpholine
Synonyms
6-(2-chlorophenyl)-3-(4-thiomorpholinylcarbonyl)imidazo[2,1-b][1,3]thiazole

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) 3.0081277  LogD (pH = 7.4) 3.0095057 
Log P 3.0095234  Molar Refractivity 107.1908 cm3
Polarizability 37.35269 Å3 Polar Surface Area 37.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.13  LOG S -5.03 
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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