(αZ)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-propylidene-4-thiazoleacetic acid

C₁₃H₁₈N₂O₄SCAS 86978-24-7298.36 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₃H₁₈N₂O₄S
Molar mass: 298.36 g/mol
Exact mass: 298.0987 Da
logP: 3.38Crippen estimate
Polar surface area: 92.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral

Harmonised EU classification (CLP Annex VI, index 607-606-00-X), via PubChem.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

86978-24-7

SMILES

CC/C=C(C(=O)O)c1csc(N=C(O)OC(C)(C)C)n1

InChIKey

XIXNSLABECPEMI-VURMDHGXSA-N

InChI

InChI=1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-

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

Names and synonyms

2 names

4-Thiazoleacetic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-α-propylidene-, (αZ)-
4-Thiazoleacetic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-α-propylidene-, (Z)-

Work with (αZ)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-propylidene-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

5-(3-Methyl-2-buten-1-yl) 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenedioate115065-79-749 % similar (Z)-2-(2-Aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid74440-02-140 % similar 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-6-benzothiazolecarboxylic acid225525-50-838 % similar (Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid65872-43-738 % similar (2-Formamido-1,3-thiazol-4-yl)(oxo)acetic acid64987-06-037 % similar 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-437 % similar (2E,4R)-5-[1,1′-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic acid1012341-48-837 % similar 1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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