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

C₃H₂F₃N₃SCAS 10444-89-0169.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₂F₃N₃S
Molar mass: 169.13 g/mol
Exact mass: 168.9922 Da
Melting point: 235 °C
logP: 0.97Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Identifiers

CAS number

10444-89-0

SMILES

N=c1[nH]nc(C(F)(F)F)s1

InChIKey

LTEUXHSAYOSFGQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

1,3,4-Thiadiazol-2-amine, 5-(trifluoromethyl)-
1,3,4-Thiadiazole, 2-amino-5-(trifluoromethyl)-
2-Amino-5-(trifluoromethyl)-1,3,4-thiadiazole
2-Trifluoromethyl-5-amino-1,3,4-thiadiazole
5-Amino-2-(trifluoromethyl)-1,3,4-thiadiazole
5-Trifluoromethyl-2-amino-1,3,4-thiadiazole
2-Amino-5-trifluoromethyl-1,2,4-thiadizole
NSC 231655
(5-Trifluoromethyl-1,3,4-thiadiazol-2-yl)amine
5-(Trifluoromethyl)-1,3,4-thiadiazole-2-amine
2-Amino-5-[4-(trifluoromethyl)]-1,3,4-thiadiazole

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

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-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-amine39222-73-659 % similar N-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine25366-22-748 % similar 5-(Methylthio)-1,3,4-thiadiazol-2-amine5319-77-744 % similar 2-Amino-5-methyl-1,3,4-thiadiazole108-33-843 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-943 % similar 5-(Ethylthio)-1,3,4-thiadiazol-2-amine25660-70-240 % similar 2-Amino-5-ethyl-1,3,4-thiadiazole14068-53-239 % similar 4-(Trifluoromethyl)-2-thiazolamine349-49-535 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook