2-Aminothiazole-5-sulfonamide

C₃H₅N₃O₂S₂CAS 63735-95-5179.21 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₃H₅N₃O₂S₂
Molar mass: 179.21 g/mol
Exact mass: 178.9823 Da
logP: -0.63Crippen estimate
Polar surface area: 99.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63735-95-5

SMILES

C1=C(SC(=N1)N)S(=O)(=O)N

InChIKey

VGYHEIFRKKUZTD-UHFFFAOYSA-N

InChI

InChI=1S/C3H5N3O2S2/c4-3-6-1-2(9-3)10(5,7)8/h1H,(H2,4,6)(H2,5,7,8)

Weigh it out

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

Work with 2-Aminothiazole-5-sulfonamide

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

5-Bromo-2-thiophenesulfonamide53595-65-641 % similar 5-Chlorothiophene-2-sulfonamide53595-66-741 % similar 2-Thiophenesulfonamide6339-87-339 % similar 5-Fluorothiazol-2-amine hydrochloride745053-64-939 % similar 4,5-Dichlorothiophene-2-sulfonamide256353-34-139 % similar 5-(Trifluoromethyl)thiazol-2-amine169260-97-338 % similar 2-Aminothiazole-5-carbonitrile51640-52-938 % similar Sulfanilamide63-74-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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