5-Propyl-1,3,4-thiadiazol-2-amine

C₅H₉N₃SCAS 39223-04-6143.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₉N₃S
Molar mass: 143.21 g/mol
Exact mass: 143.0517 Da
logP: 1.07Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39223-04-6

SMILES

CCCC1=NN=C(S1)N

InChIKey

NLQURINLKRAGIF-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8)

Weigh it out

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

Names and synonyms

1 names

5-Propyl-[1,3,4]thiadiazol-2-ylamine

Work with 5-Propyl-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-Cyclopropyl-1,3,4-thiadiazol-2-amine57235-50-438 % similar 2-Amino-5-bromo-[1,3,4]thiadiazole37566-39-537 % similar 2-Propylthiazole17626-75-436 % similar Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate64837-53-236 % similar 2-Propylaniline1821-39-232 % similar 4-Propylaniline2696-84-631 % similar 2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole1014-25-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(1-Methylethyl)-1,2,4-thiadiazol-5-amine32039-21-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook