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626226-54-8 molecular structure
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7-hydroxy-2-(methylamino)-4H,5H-[1,3]thiazolo[4,5-b]pyridin-5-one

ChemBase ID: 312283
Molecular Formular: C7H7N3O2S
Molecular Mass: 197.21438
Monoisotopic Mass: 197.02589748
SMILES and InChIs

SMILES:
c12c(c(cc(=O)[nH]2)O)sc(n1)NC
Canonical SMILES:
CNc1sc2c(n1)[nH]c(=O)cc2O
InChI:
InChI=1S/C7H7N3O2S/c1-8-7-10-6-5(13-7)3(11)2-4(12)9-6/h2H,1H3,(H3,8,9,10,11,12)
InChIKey:
VOVRAHNUMSFRIG-UHFFFAOYSA-N

Cite this record

CBID:312283 http://www.chembase.cn/molecule-312283.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydroxy-2-(methylamino)-4H,5H-[1,3]thiazolo[4,5-b]pyridin-5-one
IUPAC Traditional name
7-hydroxy-2-(methylamino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
Synonyms
7-hydroxy-2-(methylamino)[1,3]thiazolo[4,5-b]pyridin-5(4H)-one
CAS Number
626226-54-8
MDL Number
MFCD20503041

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.00734431  LogD (pH = 7.4) -1.5970128 
Log P 0.38631332  Molar Refractivity 52.1446 cm3
Polarizability 17.670736 Å3 Polar Surface Area 74.25 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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