chempirical

2-(Formylamino)-α-oxo-4-thiazoleacetic acid

C6H4N2O4SCAS 64987-06-0200.17 g/mol

Open in Covalent MOL file
OHOOSNHON
Carboxylic acidKetone

Properties

Molecular formula
C6H4N2O4S
Molar mass
200.17 g/mol
Exact mass
199.9892 Da
logP
0.63Crippen estimate
Polar surface area
99.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
64987-06-0
SMILES
O=C(O)C(=O)c1csc(N=CO)n1
InChIKey
JPJMIBGVCGNFQD-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O4S/c9-2-7-6-8-3(1-13-6)4(10)5(11)12/h1-2H,(H,11,12)(H,7,8,9)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 4-Thiazoleacetic acid, 2-(formylamino)-α-oxo-
  • SQ 27710
  • 2-(2-Formamido-4-thiazolyl)glyoxylic acid
  • 2-(2-Formylamino-1,3-thiazol-4-yl)glyoxylic acid
  • 2-(2-Formamido-1,3-thiazol-4-yl)-2-oxoacetic acid
  • 2-(2-Formamidothiazol-4-yl)-2-oxoacetic acid

Work with 2-(Formylamino)-α-oxo-4-thiazoleacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid65872-43-763 % similar Ethyl 2-(formylamino)-α-oxo-4-thiazoleacetate64987-03-762 % similar 2-(Formylamino)-4-thiazoleacetic acid75890-68-551 % similar Ethyl 2-(formylamino)-4-thiazoleacetate64987-05-946 % similar (Αz)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-α-propylidene-4-thiazoleacetic acid86978-24-737 % similar 2-Amino-α-oxo-4-thiazoleacetic acid73150-67-135 % similar 2-Thiopheneglyoxylic acid4075-59-634 % similar 5-(3-Methyl-2-buten-1-yl) 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenedioate115065-79-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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