Molecule ID: 3692

IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate

Description: The molecule is an imidothiocarbamic ester that consists of isothiourea in which the thiol hydrogen is substituted by a 2-(imidazol-4-yl)ethyl group. An extremely potent, high affinity agonist at H3 and H4 receptors (Ki values are 0.3 and 2.7 nM respectively). Induces shape change in eosinophils with an EC50 of 25 nM. Centrally active following systemic administration. It has a role as a H3-receptor agonist and a H4-receptor agonist. It is a member of imidazoles and an imidothiocarbamic ester. It is a conjugate base of an imetit(2+).

SMILES: N=C(N)SCCc1cnc[nH]1

SELFIES: [N][=C][Branch1][C][N][S][C][C][C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.2