5-Amino-3-trifluoromethyl-1,2,4-thiadiazole

C₃H₂F₃N₃SCAS 35581-44-3169.13 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₃H₂F₃N₃S
Molar mass: 169.13 g/mol
Exact mass: 168.9922 Da
logP: 1.14Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

35581-44-3

SMILES

C1(=NSC(=N1)N)C(F)(F)F

InChIKey

JGALYMQIFVSEGP-UHFFFAOYSA-N

InChI

InChI=1S/C3H2F3N3S/c4-3(5,6)1-8-2(7)10-9-1/h(H2,7,8,9)

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Names and synonyms

1 names

3-(Trifluoromethyl)-1,2,4-thiadiazol-5-amine

Work with 5-Amino-3-trifluoromethyl-1,2,4-thiadiazole

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-Amino-3-ethyl-1,2,4-thiadiazole17467-41-342 % similar 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine368-66-142 % similar 5-Amino-3-methyl-1,2,4-thiadiazole17467-35-541 % similar 5-(Trifluoromethyl)thiazol-2-amine169260-97-336 % similar 5-(Trifluoromethyl)-1,3-benzothiazol-2-amine60388-38-733 % similar 2-Amino-6-(trifluoromethyl)benzothiazole777-12-833 % similar 2-(Trifluoromethyl)pyrimidine116470-67-830 % similar

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

Same formula

5-(Trifluoromethyl)-1,3,4-thiadiazol-2-amine10444-89-0

Elsewhere

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