chempirical

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

C6H11N3SCAS 39222-73-6157.24 g/mol

Open in Covalent MOL file
NNHNHS

Properties

Molecular formula
C6H11N3S
Molar mass
157.24 g/mol
Exact mass
157.0674 Da
Melting point
180 °C
logP
1.25Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
39222-73-6
SMILES
CC(C)(C)c1n[nH]c(=N)s1
InChIKey
ICXDPEFCLDSXLI-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)

Weigh it out

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

Names and synonyms

12 names
  • 1,3,4-Thiadiazol-2-amine, 5-(1,1-dimethylethyl)-
  • 1,3,4-Thiadiazole, 2-amino-5-tert-butyl-
  • 5-Amino-2-tert-butyl-1,3,4-thiadiazole
  • 5-tert-Butyl-2-amino-1,3,4-thiadiazole
  • 2-Amino-5-tert-butyl-1,3,4-thiadiazole
  • 2-tert-Butyl-5-amino-1,3,4-thiadiazole
  • 2-Amino-4-tert-butyl-1,3,4-thiadiazole
  • Buthidazolamine
  • (5-tert-Butyl-[1,3,4]thiadiazol-2-yl)amine
  • 5-(tert-Butyl)-[1,3,4]thiadiazole-2-amine
  • N-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)amine
  • 5-tert-Butyl-1,3,4-thiadiazol-2-amine

Work with 5-(1,1-Dimethylethyl)-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-amine10444-89-059 % similar 2-Amino-5-methyl-1,3,4-thiadiazole108-33-848 % similar 2-Amino-5-ethyl-1,3,4-thiadiazole14068-53-244 % similar 5-(Methylthio)-1,3,4-thiadiazol-2-amine5319-77-744 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-943 % similar 5-(Ethylthio)-1,3,4-thiadiazol-2-amine25660-70-240 % similar 5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine25660-71-332 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook