chempirical

4-Methyl-1,3-thiazole-2-carbaldehyde

C5H5NOSCAS 13750-68-0127.16 g/mol

Open in Covalent MOL file
SNO
Aldehyde

Properties

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

Identifiers

CAS number
13750-68-0
SMILES
CC1=CSC(=N1)C=O
InChIKey
NYMCQLLAIMUVSY-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3

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Names and synonyms

1 names
  • 4-Methyl-2-thiazolecarboxaldehyde 97

Work with 4-Methyl-1,3-thiazole-2-carbaldehyde

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-2(3H)-thiazolethione4498-39-945 % similar 2-Ethyl-4-methylthiazole15679-12-641 % similar 2-Isopropyl-4-methylthiazole15679-13-741 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-640 % similar 6-Methyl-2-pyridinecarboxaldehyde1122-72-139 % similar 4-Methyl-2-(2-methylpropyl)thiazole61323-24-837 % similar 2-Methylquinoline-6-carboxaldehyde108166-03-633 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-232 % 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-Cyano-3-tetrahydrothiophenone16563-14-7 2-Acetylthiazole24295-03-2 Thiophene-2-aldoxime29683-84-9 2-Thiophenecarboxamide5813-89-8 4-Methyl-5-thiazolecarboxaldehyde82294-70-0

Elsewhere

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