1458240 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 16 8 8 8 7 7 7 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 2 3 3 4 5 5 5 6 6 7 7 7 8 8 8 8 9 9 10 10 11 12 12 13 13 14 14 15 16 17 18 18 18 19 21 22 23 23 24 24 25 19 20 15 22 25 21 9 11 15 17 20 20 21 37 9 10 26 27 28 29 11 12 13 14 30 16 31 16 17 18 32 19 33 34 35 36 22 23 24 38 25 39 40 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 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 4.3907 9.1605 2.1045 2.9016 9.5176 5.8688 4.4839 9.5176 10.1013 8.5714 8.5714 7.7054 7.7054 6.8394 9.8283 6.8394 5.9734 10.8068 5.0598 4.8907 3.4894 3.0827 3.5827 2.9136 2 10.055 9.2666 10.5621 10.5621 7.7054 7.7054 6.3024 10.679 11.4135 10.9347 4.9309 4.8484 4.1993 3.0424 1.4631 -0.2854 -4.1214 2.7201 0.7897 -2.4266 0.3727 1.4941 -0.8171 -1.6218 -1.1218 -2.1218 -0.6218 -2.6218 -1.1218 -3.3771 -2.1218 -0.6218 -3.5833 -1.0286 0.5806 1.5987 2.5122 3.3782 4.1214 3.7146 -0.5079 -0.2502 -2.0366 -1.2071 -0.0018 -3.2418 -2.4318 -4.19 -3.7112 -2.9766 -1.635 1.9957 3.443 4.7278 4.0246 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 6 6 10 10 11 12 13 14 17 22 23 24 19 20 22 25 17 20 11 12 13 14 16 16 19 23 24 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 532 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B3000400000000000000000000000000162C4800030000000000000005801F000001E04100000000C0CE5DE06B3D593C81448AC03AD72F40282F8A9652A39098835FE6CD88E26B2E4BDBF873928ECC713D8E9A79897C20E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-acetylindolin-5-yl)thiazol-2-yl]furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-2-thiazolyl]-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-ethanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-acetylindolin-5-yl)thiazol-2-yl]-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H15N3O3S/c1-11(22)21-7-6-13-9-12(4-5-15(13)21)14-10-25-18(19-14)20-17(23)16-3-2-8-24-16/h2-5,8-10H,6-7H2,1H3,(H,19,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PNYIXUAGLNZDPX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.08341252 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H15N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.08341252 25 0 0 0 0 0 0 0 1 -1