chempirical

Methyl 1,3-thiazole-5-carboxylate

C5H5NO2SCAS 14527-44-7143.16 g/mol

Open in Covalent MOL file
OONS
Ester

Properties

Molecular formula
C5H5NO2S
Molar mass
143.16 g/mol
Exact mass
143.0041 Da
logP
0.93Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
14527-44-7
SMILES
COC(=O)C1=CN=CS1
InChIKey
XDIBWBYTRTUUBJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2S/c1-8-5(7)4-2-6-3-9-4/h2-3H,1H3

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Names and synonyms

1 names
  • Methyl 5-thiazolecarboxylate

Work with Methyl 1,3-thiazole-5-carboxylate

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

Methyl 2-thiophenecarboxylate5380-42-750 % similar 5-Thiazolecarboxylic acid14527-41-448 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-348 % similar Methyl 2-pyrazinecarboxylate6164-79-044 % similar Methyl isonicotinate2459-09-844 % similar Methyl nicotinate93-60-743 % similar 2,5-Dimethyl 2,5-furandicarboxylate4282-32-042 % similar Dimethyl terephthalate120-61-642 % similar

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

Same formula

4-Methyl-2-thiazolecarboxylic acid14542-16-6 4-Methyl-5-thiazolecarboxylic acid20485-41-0 2-Methyl-5-thiazolecarboxylic acid40004-69-1

Elsewhere

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