Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate

C₁₅H₂₃N₃O₅SCAS 86299-46-9357.43 g/mol

Open in Covalent MOL file

Ester Oxime Primary amine

Properties

Molecular formula: C₁₅H₂₃N₃O₅S
Molar mass: 357.43 g/mol
Exact mass: 357.1358 Da
logP: 2.13Crippen estimate
Polar surface area: 113.1 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

86299-46-9

SMILES

CCOC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)C1=CSC(=N1)N

InChIKey

GVGJDTAQZPCVCX-UHFFFAOYSA-N

InChI

InChI=1S/C15H23N3O5S/c1-7-21-11(19)10(9-8-24-13(16)17-9)18-23-15(5,6)12(20)22-14(2,3)4/h8H,7H2,1-6H3,(H2,16,17)

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Names and synonyms

1 names

Ethyl (Z)-2-(2-aminothiazol-4-yl)-2-(1-tert-butoxycarbonyl-1-methyl)ethoxyiminoacetate

Work with Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate

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

tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate158183-05-257 % similar Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate64987-08-252 % similar 2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid80542-76-351 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid74440-02-148 % similar (αZ)-α-[[2-(1,1-Dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-[(triphenylmethyl)amino]-4-thiazoleacetic acid68672-66-246 % similar (E)-2-(((2-(2-Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic acid194241-83-346 % similar (αZ)-2-Amino-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic acid86299-47-042 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic acid128438-01-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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