chempirical

Methyl 4-methylthiazole-5-carboxylate

C6H7NO2SCAS 81569-44-0157.19 g/mol

Open in Covalent MOL file
SNOO
Ester

Properties

Molecular formula
C6H7NO2S
Molar mass
157.19 g/mol
Exact mass
157.0197 Da
logP
1.24Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
81569-44-0
SMILES
CC1=C(SC=N1)C(=O)OC
InChIKey
RRCLLMUIJYXSGZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2S/c1-4-5(6(8)9-2)10-3-7-4/h3H,1-2H3

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Names and synonyms

1 names
  • Methyl 4-methyl-5-thiazolecarboxylate

Work with Methyl 4-methylthiazole-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

Ethyl 4-methylthiazole-5-carboxylate20582-55-266 % similar Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-163 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-054 % similar Methyl 5-bromothiazole-4-carboxylate913836-22-350 % similar Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-949 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-249 % similar Methyl 2-methylnicotinate65719-09-746 % similar Methyl 1,3-thiazole-5-carboxylate14527-44-746 % similar

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

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 3-(2-Thiazolyl)propionic acid144163-65-5 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 α-Amino-2-thiopheneacetic acid21124-40-3 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 L-α-(2-Thienyl)glycine43189-45-3 Methyl 2-amino-3-thiophenecarboxylate4651-81-4

Elsewhere

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