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

C5H9N3SCAS 32039-21-7143.21 g/mol

Open in Covalent MOL file
NNHSHN

Properties

Molecular formula
C5H9N3S
Molar mass
143.21 g/mol
Exact mass
143.0517 Da
logP
1.07Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
32039-21-7
SMILES
CC(C)c1nc(=N)s[nH]1
InChIKey
LSGLMPMOLFSULL-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)

Weigh it out

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

Names and synonyms

6 names
  • 1,2,4-Thiadiazol-5-amine, 3-(1-methylethyl)-
  • 1,2,4-Thiadiazole, 5-amino-3-isopropyl-
  • 3-Isopropyl-5-amino-1,2,4-thiadiazole
  • 5-Amino-3-isopropyl-1,2,4-thiadiazole
  • 3-Isopropyl-1,2,4-thiadiazol-5-amine
  • 3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine

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

3-Phenyl-1,2,4-thiadiazol-5-amine17467-15-139 % similar 2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid72217-12-033 % similar (αZ)-5-Amino-α-(ethoxyimino)-1,2,4-thiadiazole-3-acetic acid75028-24-931 % similar 2-Isopropylimidazole36947-68-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Propyl-1,3,4-thiadiazol-2-amine39223-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook