Navigation

name Structure Reference Source Properties Activities Metabolism

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide

AlkaPlorer ID: AK254032

Synonym: None

IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide

Structure

SMILES: CCSC1=NN=C(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)S1

copy

InChI: InChI=1S/C9H9F6N3OS2/c1-3-20-6-18-17-5(21-6)16-4(19)7(2,8(10,11)12)9(13,14)15/h3H2,1-2H3,(H,16,17,19)

copy

InChIKey: CACIMFREAFKQBY-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 353.313

TPSA？: 54.88

MolLogP？: 3.719500000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Alpha-synuclein Potency 19952.6 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 20596.2 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 89125.1 nM None
Homo sapiens Chromobox protein homolog 1 Potency 89125.1 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 22387.2 nM None
Homo sapiens HepG2 Potency 3981.1 nM None
Homo sapiens High-affinity choline transporter IC50 2818.38 nM None
Homo sapiens High-affinity choline transporter IC50 3467.37 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 2511.9 nM None
Homo sapiens Huntingtin Potency 25118.9 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 3981.1 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 18356.4 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 100000.0 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 16360.1 nM None
Homo sapiens Parathyroid hormone receptor Potency 39810.7 nM None
Homo sapiens Survival motor neuron protein Potency 12589.3 nM None
Homo sapiens TAR DNA-binding protein 43 Potency 35481.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18356.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23109.3 nM None
Influenza A virus Nonstructural protein 1 Potency 7943.3 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 25118.9 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2616.9 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 25929.0 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Potency 29081.0 nM None
None Unchecked Potency 31622.8 nM None

Metabolism Information