2-(Formylamino)-4-thiazoleacetic acid

C6H6N2O3SCAS 75890-68-5186.19 g/mol

Open in Covalent MOL file
OHOSNHON
Carboxylic acid

Properties

Molecular formula
C6H6N2O3S
Molar mass
186.19 g/mol
Exact mass
186.0099 Da
logP
0.99Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
75890-68-5
SMILES
O=C(O)Cc1csc(N=CO)n1
InChIKey
MXBRIEOXXKWWCE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3S/c9-3-7-6-8-4(2-12-6)1-5(10)11/h2-3H,1H2,(H,10,11)(H,7,8,9)

Weigh it out

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

Names and synonyms

7 names
  • 4-Thiazoleacetic acid, 2-(formylamino)-
  • SQ 28113
  • 2-Formylamino-4-thiazolylacetic acid
  • [2-(Formylamino)-1,3-thiazol-4-yl]acetic acid
  • 2-Formylamino-4-thiazoleacetic acid
  • 2-(2-Formylaminothiazol-4-yl)-acetic acid
  • 2-(2-Formamido-1,3-thiazol-4-yl)acetic acid

Work with 2-(Formylamino)-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

Ethyl 2-formamidothiazol-4-acetate64987-05-962 % similar (2-Formamido-1,3-thiazol-4-yl)(oxo)acetic acid64987-06-051 % similar 2-(2-Aminothiazol-4-yl) acetic acid hydrochloride66659-20-950 % similar (2-Phenyl-thiazol-4-yl)-acetic acid16441-28-449 % similar Ethyl 2-(formylamino)-alpha-oxo-4-thiazoleacetate64987-03-746 % similar (Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid65872-43-744 % similar Formylglycine2491-15-835 % similar Thiophene-3-acetic acid6964-21-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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