chempirical

Dimethyl-1,3-thiazole-5-carboxylic acid

C6H7NO2SCAS 53137-27-2157.19 g/mol

Open in Covalent MOL file
SNOHO
Carboxylic acid

Properties

Molecular formula
C6H7NO2S
Molar mass
157.19 g/mol
Exact mass
157.0197 Da
logP
1.46Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
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
53137-27-2
SMILES
CC1=C(SC(=N1)C)C(=O)O
InChIKey
MQGBARXPCXAFRZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

1 names
  • 2,4-Dimethylthiazole-5-carboxylic acid

Work with Dimethyl-1,3-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-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-664 % similar 5-Acetyl-2,4-dimethylthiazole38205-60-659 % similar 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid117724-63-758 % similar 4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-155 % similar 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-050 % similar Ethyl 2,4-dimethyl-5-thiazolecarboxylate7210-77-750 % similar 4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid39091-01-549 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-049 % 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

PubChem CAS Common Chemistry NIST WebBook