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129880-85-9 molecular structure
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2-(morpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde

ChemBase ID: 228974
Molecular Formular: C14H14N2O2S
Molecular Mass: 274.33816
Monoisotopic Mass: 274.0775987
SMILES and InChIs

SMILES:
c1(nc(c(s1)C=O)c1ccccc1)N1CCOCC1
Canonical SMILES:
O=Cc1sc(nc1c1ccccc1)N1CCOCC1
InChI:
InChI=1S/C14H14N2O2S/c17-10-12-13(11-4-2-1-3-5-11)15-14(19-12)16-6-8-18-9-7-16/h1-5,10H,6-9H2
InChIKey:
OFUUYKAZFQDERO-UHFFFAOYSA-N

Cite this record

CBID:228974 http://www.chembase.cn/molecule-228974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
IUPAC Traditional name
2-(morpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
Synonyms
2-Morpholin-4-yl-4-phenyl-thiazole-5-carbaldehyde
CAS Number
129880-85-9
MDL Number
MFCD02710803
PubChem SID
164284884
PubChem CID
2326533

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-01034 external link Add to cart Please log in.
Data Source Data ID
PubChem 2326533 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0838432  LogD (pH = 7.4) 3.0838494 
Log P 3.0838494  Molar Refractivity 75.3751 cm3
Polarizability 29.422712 Å3 Polar Surface Area 42.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
181 - 183°C expand Show data source
Hydrophobicity(logP)
2.888 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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