chempirical

1,3-Thiazole-2-carbaldehyde

C4H3NOSCAS 10200-59-6113.13 g/mol

Open in Covalent MOL file
SNO
Aldehyde

Properties

Molecular formula
C4H3NOS
Molar mass
113.13 g/mol
Exact mass
112.9935 Da
logP
0.96Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
10200-59-6
SMILES
C1=CSC(=N1)C=O
InChIKey
ZGTFNNUASMWGTM-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H

Weigh it out

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

Work with 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

2-Chlorothiazole3034-52-438 % similar 2-Methylthiazole3581-87-138 % similar 2-Bromothiazole3034-53-537 % similar 2-Mercaptothiazole5685-05-237 % similar 2-Thiazolethiol82358-09-637 % similar 4-Methyl-5-thiazolecarboxaldehyde82294-70-035 % similar Imidazole-2-carboxaldehyde10111-08-734 % similar 2-Thiazolesulfonyl chloride100481-09-234 % similar

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

Same formula

5-Thiazolecarboxaldehyde1003-32-3

Elsewhere

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