N-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C₄H₄F₃N₃SCAS 25366-22-7183.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄F₃N₃S
Molar mass: 183.15 g/mol
Exact mass: 183.0078 Da
Melting point: 115–116 °C
logP: 1.02Crippen estimate
Polar surface area: 41.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

25366-22-7

SMILES

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

InChIKey

ARAFQFMXQDBEPU-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F3N3S/c1-8-3-10-9-2(11-3)4(5,6)7/h1H3,(H,8,10)

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Names and synonyms

5 names

1,3,4-Thiadiazol-2-amine, N-methyl-5-(trifluoromethyl)-
1,3,4-Thiadiazole, 2-(methylamino)-5-(trifluoromethyl)-
2-Methylimino-5-trifluoromethyl-δ4-1,3,4-thiadiazoline
2-Methylamino-5-(trifluoromethyl)-1,3,4-thiadiazole
2-Methylammonia-(5-trifluoromethyl)-1,3,4-thiadiazole

Work with N-Methyl-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-(Trifluoromethyl)-1,3,4-thiadiazol-2-amine10444-89-048 % similar

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

Same formula

2,4-Dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione30682-81-6

Elsewhere

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