Home > Compound List > Compound details
 molecular structure
click picture or here to close

methyl 4-{[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}butanoate

ChemBase ID: 370424
Molecular Formular: C18H19N3O4S
Molecular Mass: 373.42616
Monoisotopic Mass: 373.1096271
SMILES and InChIs

SMILES:
n12c(nc(c2)c2cc(OC)ccc2)scc1C(=O)NCCCC(=O)OC
Canonical SMILES:
COC(=O)CCCNC(=O)c1csc2n1cc(n2)c1cccc(c1)OC
InChI:
InChI=1S/C18H19N3O4S/c1-24-13-6-3-5-12(9-13)14-10-21-15(11-26-18(21)20-14)17(23)19-8-4-7-16(22)25-2/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,19,23)
InChIKey:
LVOXXXHUFFUDDJ-UHFFFAOYSA-N

Cite this record

CBID:370424 http://www.chembase.cn/molecule-370424.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-{[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}butanoate
IUPAC Traditional name
methyl 4-{[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}butanoate
Synonyms
methyl 4-({[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]carbonyl}amino)butanoate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18268178 external link Add to cart
Data Source Data ID Price
ChemBridge
18268178 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.011154  H Acceptors
H Donor LogD (pH = 5.5) 1.8109149 
LogD (pH = 7.4) 1.8125037  Log P 1.812524 
Molar Refractivity 108.9005 cm3 Polarizability 38.28346 Å3
Polar Surface Area 81.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.31  LOG S -5.36 
Polar Surface Area 81.93 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle