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885279-31-2 molecular structure
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2-(2-aminophenyl)-1,3-thiazole-4-carbaldehyde

ChemBase ID: 810811
Molecular Formular: C10H8N2OS
Molecular Mass: 204.24832
Monoisotopic Mass: 204.03573389
SMILES and InChIs

SMILES:
s1c(nc(c1)C=O)c1c(cccc1)N
Canonical SMILES:
O=Cc1csc(n1)c1ccccc1N
InChI:
InChI=1S/C10H8N2OS/c11-9-4-2-1-3-8(9)10-12-7(5-13)6-14-10/h1-6H,11H2
InChIKey:
XIOBZDZPVJZSIH-UHFFFAOYSA-N

Cite this record

CBID:810811 http://www.chembase.cn/molecule-810811.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminophenyl)-1,3-thiazole-4-carbaldehyde
IUPAC Traditional name
2-(2-aminophenyl)-1,3-thiazole-4-carbaldehyde
Synonyms
2-(2-AMINO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
CAS Number
885279-31-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29777 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29777 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2144566  LogD (pH = 7.4) 2.2149224 
Log P 2.2149284  Molar Refractivity 67.2672 cm3
Polarizability 21.427084 Å3 Polar Surface Area 55.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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