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31784-70-0 molecular structure
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[1,3]thiazolo[5,4-b]pyridin-2-amine

ChemBase ID: 287523
Molecular Formular: C6H5N3S
Molecular Mass: 151.189
Monoisotopic Mass: 151.02041818
SMILES and InChIs

SMILES:
Nc1nc2cccnc2s1
Canonical SMILES:
Nc1nc2c(s1)nccc2
InChI:
InChI=1S/C6H5N3S/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H2,7,9)
InChIKey:
OGWPHTRWLWDCOC-UHFFFAOYSA-N

Cite this record

CBID:287523 http://www.chembase.cn/molecule-287523.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1,3]thiazolo[5,4-b]pyridin-2-amine
IUPAC Traditional name
[1,3]thiazolo[5,4-b]pyridin-2-amine
Synonyms
2-Aminothiazolo[5,4-b]pyridine
CAS Number
31784-70-0
PubChem SID
180673054
PubChem CID
592050

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD153847 Please log in.
Data Source Data ID
PubChem 592050 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.396322  H Acceptors
H Donor LogD (pH = 5.5) 1.1185801 
LogD (pH = 7.4) 1.1185853  Log P 1.1185855 
Molar Refractivity 39.0981 cm3 Polarizability 15.19941 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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