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

C₅H₅NOSCAS 13750-68-0127.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅NOS
Molar mass: 127.16 g/mol
Exact mass: 127.0092 Da
logP: 1.26Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

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

Weigh it out

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

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

2,4-Dimethylthiazole541-58-246 % similar 4-Methyl-2(3H)-thiazolethione4498-39-945 % similar 2-Bromo-4-methyl-1,3-thiazole7238-61-143 % similar 2-Ethyl-4-methyl thiazole15679-12-641 % similar 2-Isopropyl-4-methylthiazole15679-13-741 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-640 % similar 6-Methyl-2-pyridinecarboxaldehyde1122-72-139 % similar 1,3-Thiazole-2-carbaldehyde10200-59-639 % 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-Methyl-1,3-thiazole-4-carbaldehyde20949-84-2 2-Acetylthiazole24295-03-2 Thiophene-2-aldoxime29683-84-9 2-Thiophenecarboxamide5813-89-8 4-Methylthiazole-5-carboxaldehyde82294-70-0

Elsewhere

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