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134670-46-5 molecular structure
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6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

ChemBase ID: 18183
Molecular Formular: C14H12N2O2S
Molecular Mass: 272.32228
Monoisotopic Mass: 272.06194863
SMILES and InChIs

SMILES:
c12n(c(c(n1)c1ccc(cc1)OC)C=O)c(cs2)C
Canonical SMILES:
O=Cc1c(nc2n1c(C)cs2)c1ccc(cc1)OC
InChI:
InChI=1S/C14H12N2O2S/c1-9-8-19-14-15-13(12(7-17)16(9)14)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
InChIKey:
IKGDGHBVWWWUGA-UHFFFAOYSA-N

Cite this record

CBID:18183 http://www.chembase.cn/molecule-18183.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
IUPAC Traditional name
6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Synonyms
6-(4-Methoxy-phenyl)-3-methyl-imidazo-[2,1-b]thiazole-5-carbaldehyde
CAS Number
134670-46-5
MDL Number
MFCD06824775
PubChem SID
160981490
PubChem CID
6484095

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 6484095 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.128753  LogD (pH = 7.4) 2.1290956 
Log P 2.1291  Molar Refractivity 86.351 cm3
Polarizability 29.100342 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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