Methyl thiazole-2-carboxylate

C5H5NO2SCAS 55842-56-3143.16 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
55842-56-3
SMILES
COC(=O)C1=NC=CS1
InChIKey
YRMZUOPMHMPNPG-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2S/c1-8-5(7)4-6-2-3-9-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Methyl 2-thiazolecarboxylate

Work with Methyl thiazole-2-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

2-Acetylthiazole24295-03-253 % similar 2-Propionylthiazole43039-98-149 % similar Thiazole-2-carboxylic acid14190-59-148 % similar Methyl 2-pyrimidinecarboxylate34253-03-748 % similar Methyl 4-methylthiazole-5-carboxylate81569-44-046 % similar Methyl thenoate5380-42-746 % similar Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-145 % similar Methyl 5-bromothiazole-4-carboxylate913836-22-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 1,3-thiazole-5-carboxylate14527-44-7 4-Methyl-2-thiazolecarboxylic acid14542-16-6 4-Methylthiazole-5-carboxylic acid20485-41-0 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-2 2-Methyl-5-thiazolecarboxylic acid40004-69-1 5-Methylthiazole-2-carboxylic acid61291-21-2

Elsewhere

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