chempirical

Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

C6H8N2O2SCAS 18212-20-9172.20 g/mol

Open in Covalent MOL file
OONNS
Ester

Properties

Molecular formula
C6H8N2O2S
Molar mass
172.20 g/mol
Exact mass
172.0306 Da
logP
1.02Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
18212-20-9
SMILES
CCOC(=O)C1=C(N=NS1)C
InChIKey
AHPXTXGCMLOXGA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-4(2)7-8-11-5/h3H2,1-2H3

Weigh it out

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

Work with Ethyl 4-methyl-1,2,3-thiadiazole-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-carboxylate20582-55-259 % similar Ethyl 2,4-dimethyl-5-thiazolecarboxylate7210-77-758 % similar 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-050 % similar Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-449 % similar 4-Carbethoxy-5-methylimidazole51605-32-446 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-446 % similar Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-546 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-245 % similar

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

Same formula

L-4-Thiazolylalanine119433-80-6 D-4-Thiazolylalanine131896-42-9 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one175205-07-9 2-Aminobenzenesulfonamide3306-62-5 Ethyl 2-amino-4-thiazolecarboxylate5398-36-7 Sulfanilamide63-74-1 Benzenesulfonyl hydrazide80-17-1 3-Aminobenzenesulfonamide98-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook