2-(1,1-Dimethoxyethyl)thiazole-5-carboxylic acid

C₈H₁₁NO₄SCAS 2168221-63-2217.24 g/mol

Open in Covalent MOL file

Acetal Carboxylic acid Ether

Properties

Molecular formula: C₈H₁₁NO₄S
Molar mass: 217.24 g/mol
Exact mass: 217.0409 Da
logP: 1.31Crippen estimate
Polar surface area: 68.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2168221-63-2

SMILES

CC(C1=NC=C(S1)C(=O)O)(OC)OC

InChIKey

DTVQNBOXFRPJMR-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO4S/c1-8(12-2,13-3)7-9-4-5(14-7)6(10)11/h4H,1-3H3,(H,10,11)

Weigh it out

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Work with 2-(1,1-Dimethoxyethyl)thiazole-5-carboxylic 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

2-(Trifluoromethyl)thiazole-5-carboxylic acid1286734-84-663 % similar 2-Methyl-5-thiazolecarboxylic acid40004-69-151 % similar 2-N-Boc-amino-thiazole-5-carboxylic acid302964-02-948 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-048 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-439 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-538 % similar 2,5-Thiophenedicarboxylic acid4282-31-938 % similar 5-Methylthiazole-2-carboxylic acid61291-21-237 % similar

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

Same formula

2,5-Dimethoxybenzenesulfonamide19116-90-6 1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine3918-73-8 Cresidinesulfonic acid6471-78-9

Elsewhere

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