4028326 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 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 7 7 8 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 24 25 25 26 6 9 4 6 7 5 6 5 8 10 9 27 12 13 11 14 15 16 17 18 28 19 29 20 30 21 31 24 32 25 33 22 34 22 35 23 36 23 37 38 39 26 40 26 41 42 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 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 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 7.4851 6.5388 5.5878 5.5878 5 6.5388 7.4851 5.2788 8.0687 4 9.0687 4.3006 5.9479 3.5 3.5 9.5687 9.5687 3.9916 5.6389 2.5 2.5 4.6607 2 10.5687 10.5687 11.0687 7.6777 3.8858 6.5544 3.81 3.81 9.2587 9.2587 3.3852 6.0537 2.19 2.19 4.4691 1.38 10.8787 10.8787 11.6887 -2.2028 -0.8981 -2.2071 -0.5891 -1.3981 -1.8981 -0.5933 0.362 -1.3981 -1.3981 -1.3981 0.5699 1.1051 -2.2641 -0.5321 -2.2641 -0.5321 1.521 2.0562 -2.2641 -0.5321 2.2641 -1.3981 -2.2641 -0.5321 -1.3981 -0.004 0.1092 0.9762 -2.801 0.0049 -2.801 0.0049 1.6499 2.5169 -2.801 0.0049 2.8538 -1.3981 -2.801 0.0049 -1.3981 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 2 3 3 4 7 8 8 10 10 11 11 12 13 14 15 16 17 18 19 20 21 24 25 6 9 4 6 7 5 6 5 9 12 13 14 15 16 17 18 19 20 21 24 25 22 22 23 23 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 451 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B0000400000000000000000000000000162C000003060C000000016000001F400001C04000000000C08C15E043D91970C1808A4033467640082F0AD7118B849D82C2854988868E2E09911942008688002C8C8271080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,6-triphenylimidazo[2,1-b]thiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,6-triphenylimidazo[2,1-b]thiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,6-triphenylimidazo[2,1-b][1,3]thiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,6-triphenylimidazo[2,1-b][1,3]thiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,6-triphenylimidazo[2,1-b][1,3]thiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5,6-triphenylimidazo[2,1-b]thiazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H16N2S/c1-4-10-17(11-5-1)20-16-25-22(19-14-8-3-9-15-19)21(24-23(25)26-20)18-12-6-2-7-13-18/h1-16H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IJISRVKBKIIVTQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.10341969 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H16N2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CN3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CN3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 45.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.10341969 26 0 0 0 0 0 0 0 1 -1