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1-{5H,6H-imidazo[2,1-b][1,3]thiazole-3-carbonyl}-2-[2-(thiophen-2-yl)ethyl]piperidine

ChemBase ID: 322946
Molecular Formular: C17H21N3OS2
Molecular Mass: 347.49814
Monoisotopic Mass: 347.11260431
SMILES and InChIs

SMILES:
c1(C(=O)N2C(CCc3sccc3)CCCC2)n2c(=NCC2)sc1
Canonical SMILES:
O=C(c1csc2=NCCn12)N1CCCCC1CCc1cccs1
InChI:
InChI=1S/C17H21N3OS2/c21-16(15-12-23-17-18-8-10-20(15)17)19-9-2-1-4-13(19)6-7-14-5-3-11-22-14/h3,5,11-13H,1-2,4,6-10H2
InChIKey:
ZJVBHGCJPINLTK-UHFFFAOYSA-N

Cite this record

CBID:322946 http://www.chembase.cn/molecule-322946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{5H,6H-imidazo[2,1-b][1,3]thiazole-3-carbonyl}-2-[2-(thiophen-2-yl)ethyl]piperidine
IUPAC Traditional name
1-{5H,6H-imidazo[2,1-b][1,3]thiazole-3-carbonyl}-2-[2-(thiophen-2-yl)ethyl]piperidine
Synonyms
3-({2-[2-(2-thienyl)ethyl]-1-piperidinyl}carbonyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11363542 external link Add to cart
Data Source Data ID Price
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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) 2.931838  LogD (pH = 7.4) 2.938631 
Log P 2.9387183  Molar Refractivity 96.9566 cm3
Polarizability 36.664116 Å3 Polar Surface Area 35.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.23  LOG S -3.64 
Polar Surface Area 35.91 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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