(2-Thiazolyl)methylamine

C₄H₆N₂SCAS 55661-33-1114.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆N₂S
Molar mass: 114.17 g/mol
Exact mass: 114.0252 Da
logP: 0.60Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed95.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

55661-33-1

SMILES

C1=CSC(=N1)CN

InChIKey

JOZSYOPADROCMP-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2

Weigh it out

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

Names and synonyms

1 names

1,3-Thiazol-2-ylmethanamine

Work with (2-Thiazolyl)methylamine

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

1,3-Thiazol-2-ylmethanol14542-12-254 % similar 2-Propylthiazole17626-75-450 % similar 2-Isobutylthiazole18640-74-948 % similar 3-(2-Thiazolyl)propionic acid144163-65-541 % similar 2-Chlorothiazole3034-52-438 % similar 2-Methylthiazole3581-87-138 % similar 2-Bromothiazole3034-53-537 % similar 2-Mercaptothiazole5685-05-237 % similar

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

Same formula

2-Amino-4-methylthiazole1603-91-4 2,5-Dimethyl-1,3,4-thiadiazole27464-82-0 Methimazole60-56-0 2-Amino-5-methylthiazole7305-71-7

Elsewhere

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