The store will not work correctly when cookies are disabled.
N-(4-methyl-2-thiazolyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]acetamide
ID: ALA1556579
Max Phase: Preclinical
Molecular Formula: C13H11N5O2S2
Molecular Weight: 333.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1
Standard InChI: InChI=1S/C13H11N5O2S2/c1-8-6-21-12(15-8)16-10(19)7-22-13-18-17-11(20-13)9-2-4-14-5-3-9/h2-6H,7H2,1H3,(H,15,16,19)
Standard InChI Key: VRRUXVDRYAOJMV-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 333.40 | Molecular Weight (Monoisotopic): 333.0354 | AlogP: 2.63 | #Rotatable Bonds: 5 |
| Polar Surface Area: 93.80 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.86 | CX Basic pKa: 2.48 | CX LogP: 1.15 | CX LogD: 1.03 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.72 | Np Likeness Score: -3.16 |
References
| 1. PubChem BioAssay data set, |
