1.0 2026-09-22 04:37:23 UTC 2026-09-22 04:37:23 UTC FDB117714 timolol (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (2S)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol C13H24N4O3S 316.42 316.156911344 (2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol (2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol [H][C@](O)(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1 InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 BLJRIMJGRPQVNF-JTQLQIEISA-N belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group. Dialkylarylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic heteromonocyclic compounds 1,2-aminoalcohols Alkyl aryl ethers Azacyclic compounds Dialkyl ethers Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Morpholines Organopnictogen compounds Oxacyclic compounds Secondary alcohols Thiadiazoles 1,2-aminoalcohol Alcohol Alkyl aryl ether Aromatic heteromonocyclic compound Azacycle Azole Dialkyl ether Dialkylarylamine Ether Heteroaromatic compound Hydrocarbon derivative Imidolactam Morpholine Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Secondary alcohol Secondary aliphatic amine Secondary amine Thiadiazole timolol logp 1.44 ALOGPS logs -3.07 ALOGPS solubility 2.69e-01 g/l ALOGPS logp 1.34 ChemAxon pka_strongest_acidic 14.08 ChemAxon pka_strongest_basic 9.76 ChemAxon iupac (2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol ChemAxon average_mass 316.42 ChemAxon mono_mass 316.156911344 ChemAxon smiles [H][C@](O)(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1 ChemAxon formula C13H24N4O3S ChemAxon inchi InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 ChemAxon inchikey BLJRIMJGRPQVNF-JTQLQIEISA-N ChemAxon polar_surface_area 79.74 ChemAxon refractivity 83.92 ChemAxon polarizability 33.86 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65256 Specdb::MsMs 65257 Specdb::MsMs 65258 Specdb::MsMs 122625 Specdb::MsMs 122626 Specdb::MsMs 122627 Specdb::MsMs 447144 Specdb::MsMs 447145 Specdb::MsMs 447146 Specdb::MsMs 447147 Specdb::MsMs 447148 Specdb::MsMs 447296 Specdb::MsMs 450482