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6-(3-chlorophenyl)-N-(2-hydroxyethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

ChemBase ID: 320239
Molecular Formular: C17H18ClN3O2S
Molecular Mass: 363.86172
Monoisotopic Mass: 363.08082551
SMILES and InChIs

SMILES:
n12c(C(=O)N(CCO)CCC)csc1nc(c2)c1cc(Cl)ccc1
Canonical SMILES:
CCCN(C(=O)c1csc2n1cc(n2)c1cccc(c1)Cl)CCO
InChI:
InChI=1S/C17H18ClN3O2S/c1-2-6-20(7-8-22)16(23)15-11-24-17-19-14(10-21(15)17)12-4-3-5-13(18)9-12/h3-5,9-11,22H,2,6-8H2,1H3
InChIKey:
BTVVFFGSGPOBQG-UHFFFAOYSA-N

Cite this record

CBID:320239 http://www.chembase.cn/molecule-320239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(3-chlorophenyl)-N-(2-hydroxyethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
IUPAC Traditional name
6-(3-chlorophenyl)-N-(2-hydroxyethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
Synonyms
6-(3-chlorophenyl)-N-(2-hydroxyethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.573577  H Acceptors
H Donor LogD (pH = 5.5) 2.8360112 
LogD (pH = 7.4) 2.837573  Log P 2.837593 
Molar Refractivity 107.3956 cm3 Polarizability 37.472664 Å3
Polar Surface Area 57.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.32  LOG S -4.69 
Polar Surface Area 57.84 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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