2858406 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 35 17 16 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 7 7 9 10 10 11 12 12 13 13 14 14 15 15 16 16 16 26 17 8 11 6 8 9 7 8 11 9 10 18 12 13 16 14 19 15 20 17 24 17 25 21 22 23 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 3.8443 0 6.4851 5.5388 4.5878 6.4851 4 5.5388 4.5878 3 7.0687 2.5 2.5 1.5 1.5 8.0687 1 4.3962 2.81 2.81 8.0687 8.6887 8.0687 1.19 1.19 4.8443 0 3.8997 3.0949 4.3997 3.0906 4.7044 3.8997 3.3997 4.7087 3.8997 3.8997 4.7657 3.0336 4.7657 3.0336 3.8997 3.8997 5.2983 5.3026 2.4967 3.2797 3.8997 4.5197 5.3026 2.4967 0 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 5 6 7 10 10 12 13 14 15 8 11 6 8 9 7 8 11 9 12 13 14 15 17 17 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 258 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0730000441000000000000000000000000162C0000030000000000016000001F000001C06080000000C0AC15E243F9096081008A6033467640092D4AF7197B81DD8203876988868A2C19B1194A00868880248C8271080800E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-chlorophenyl)-2-methyl-imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-chlorophenyl)-2-methyl-imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-chlorophenyl)-2-methyl-imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H8ClN3S.BrH/c1-7-14-15-6-10(13-11(15)16-7)8-2-4-9(12)5-3-8;/h2-6H,1H3;1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LRWOYLWKGMQPEG-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 328.93891 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H9BrClN3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.63 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NN2C=C(N=C2S1)C3=CC=C(C=C3)Cl.Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NN2C=C(N=C2S1)C3=CC=C(C=C3)Cl.Br Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 58.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 328.93891 17 0 0 0 0 0 0 0 2 -1