(Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic acid

C₂₄H₁₉N₃O₃SCAS 128438-01-7429.49 g/mol

Open in Covalent MOL file

Carboxylic acid Oxime Primary amine

Properties

Molecular formula: C₂₄H₁₉N₃O₃S
Molar mass: 429.49 g/mol
Exact mass: 429.1147 Da
logP: 4.52Crippen estimate
Polar surface area: 97.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7
Double bonds: ZE/Z, in SMILES order

Identifiers

CAS number

128438-01-7

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O/N=C(/C4=CSC(=N4)N)\C(=O)O

InChIKey

XEZIFGWTSLOMMT-MEFGMAGPSA-N

InChI

InChI=1S/C24H19N3O3S/c25-23-26-20(16-31-23)21(22(28)29)27-30-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,25,26)(H,28,29)/b27-21-

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Names and synonyms

1 names

(Z)-2-(2-Aminothiazole-4-yl-)-2-trityloxyimino acetic acid

Work with (Z)-2-(2-Aminothiazol-4-yl)-2-((trityloxy)imino)acetic 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)-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-[(triphenylmethyl)amino]-4-thiazoleacetic acid68672-66-249 % similar (Αz)-2-(formylamino)-α-(methoxyimino)-4-thiazoleacetic acid65872-43-740 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-338 % similar S-2-Benzothiazolyl (αz)-2-amino-α-[(triphenylmethoxy)imino]-4-thiazoleethanethioate143183-03-336 % similar 2,2-Diphenylglycine3060-50-232 % similar 2-(Formylamino)-α-oxo-4-thiazoleacetic acid64987-06-031 % similar (Αz)-2-amino-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic acid86299-47-030 % similar

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

Elsewhere

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