chempirical

Ethyl 2-(formylamino)-4-thiazoleacetate

C8H10N2O3SCAS 64987-05-9214.24 g/mol

Open in Covalent MOL file
OOSNHON
Ester

Properties

Molecular formula
C8H10N2O3S
Molar mass
214.24 g/mol
Exact mass
214.0412 Da
Melting point
119–120 °C
logP
1.47Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
64987-05-9
SMILES
CCOC(=O)Cc1csc(N=CO)n1
InChIKey
UAGSMUJDTUOTFP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3S/c1-2-13-7(12)3-6-4-14-8(10-6)9-5-11/h4-5H,2-3H2,1H3,(H,9,10,11)

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Names and synonyms

3 names
  • 4-Thiazoleacetic acid, 2-(formylamino)-, ethyl ester
  • 4-(Carbethoxymethyl)-2-formamidothiazole
  • Ethyl 2-(formylamino)-4-thiazolacetate

Work with Ethyl 2-(formylamino)-4-thiazoleacetate

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

2-(Formylamino)-4-thiazoleacetic acid75890-68-562 % similar Ethyl 2-(formylamino)-α-oxo-4-thiazoleacetate64987-03-759 % similar 2-(Formylamino)-α-oxo-4-thiazoleacetic acid64987-06-046 % similar (Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid65872-43-745 % similar Ethyl N-formylglycinate3154-51-644 % similar Ethyl 4-pyridineacetate54401-85-340 % similar Ethyl 2-thienylacetate57382-97-540 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-739 % similar

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

Same formula

Acetylsulfanilamide121-61-9 Sulfacetamide144-80-9 Tosylurea1694-06-0 7-Aminodeacetoxycephalosporanic acid22252-43-3 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid26395-99-3 Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate53554-29-3 Diazald80-11-5

Elsewhere

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