chempirical

4-Methyl-5-thiazolecarboxaldehyde

C5H5NOSCAS 82294-70-0127.16 g/mol

Open in Covalent MOL file
NSO
Aldehyde

Properties

Molecular formula
C5H5NOS
Molar mass
127.16 g/mol
Exact mass
127.0092 Da
Melting point
75 °C
logP
1.26Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
82294-70-0
SMILES
Cc1ncsc1C=O
InChIKey
JJVIEMFQPALZOZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 5-Thiazolecarboxaldehyde, 4-methyl-
  • 4-Methyl-5-formyl-1,3-thiazole
  • 4-Methyl-5-formylthiazole
  • 4-Methylthiazole-5-carbaldehyde

Work with 4-Methyl-5-thiazolecarboxaldehyde

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

4-Methyl-5-vinylthiazole1759-28-061 % similar 4,5-Dimethylthiazole3581-91-748 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-242 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-041 % similar 4-Methyl-5-(2-hydroxyethyl)thiazole137-00-838 % similar Clomethiazole533-45-938 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-237 % similar 5-Thiazolecarboxaldehyde1003-32-335 % similar

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

Same formula

2-Methylthiazole-5-carbaldehyde1003-60-7 2-Mercaptopyridine N-oxide1121-31-9 4-Methyl-1,3-thiazole-2-carbaldehyde13750-68-0 2-Acetylthiazole24295-03-2 Thiophene-2-aldoxime29683-84-9 2-Thiophenecarboxamide5813-89-8

Elsewhere

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