Home > Compound List > Compound details
162254238 molecular structure
click picture or here to close

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2H3)methoxyimino]acetic acid

ChemBase ID: 160103
Molecular Formular: C6H7N3O3S
Molecular Mass: 201.20308
Monoisotopic Mass: 201.0208121
SMILES and InChIs

SMILES:
c1(scc(n1)/C(=N/OC)/C(=O)O)N
Canonical SMILES:
CO/N=C(/c1csc(n1)N)\C(=O)O
InChI:
InChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4-
InChIKey:
NLARCUDOUOQRPB-WTKPLQERSA-N

Cite this record

CBID:160103 http://www.chembase.cn/molecule-160103.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2H3)methoxyimino]acetic acid
IUPAC Traditional name
(2Z)-(2-amino-1,3-thiazol-4-yl)[(2H3)methoxyimino]acetic acid
Synonyms
2-(2-Amino-4-thiazolyl)-(Z)-2-methoxyiminoacetic Acid-d3
Thiazoximic Acid-d3
syn-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid-d3
syn-Thiazoximic Acid-d3
2-Amino-α-(methoxyimino)-4-thiazoleacetic Acid-d3
PubChem SID
162254238
PubChem CID
71313228

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611967 external link Add to cart
PubChem 71313228 external link
Data Source Data ID Price
TRC
A611967 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313228 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7195702  H Acceptors
H Donor LogD (pH = 5.5) -1.9326149 
LogD (pH = 7.4) -2.7207625  Log P -0.67329943 
Molar Refractivity 45.5698 cm3 Polarizability 16.95045 Å3
Polar Surface Area 97.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dimethylformamide expand Show data source
DMSO expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A611967 external link
Intermediate in the preparation of labelled Cephem compounds.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Nukaga, M., et al.: J. Biol. Chem., 279, 9344 (2004)
  • • Kumar, S., et al.: Biochem., 43, 2664 (2004)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle