53347960 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 16 8 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 2 3 4 4 5 6 6 6 7 7 8 8 8 9 9 9 9 10 10 11 11 12 13 13 14 14 15 15 16 18 19 21 21 21 22 23 24 24 25 25 26 19 20 17 21 17 23 26 22 11 12 17 18 20 20 22 35 10 11 27 28 12 13 29 30 14 15 31 16 32 16 18 33 19 34 36 37 38 23 24 25 39 26 40 41 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 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 41 4.3907 10.8068 9.1605 2.1045 2.9016 9.5176 5.8688 4.4839 9.5176 8.5714 10.1013 8.5714 7.7054 7.7054 6.8394 6.8394 9.8283 5.9734 5.0598 4.8907 11.1175 3.4894 3.0827 3.5827 2.9136 2 10.055 9.2666 10.5621 10.5621 7.7054 7.7054 6.3024 4.9309 4.8484 10.5282 11.3101 11.7068 4.1993 3.0424 1.4631 -0.0792 -3.3771 -3.9152 2.9263 0.9959 -2.2204 0.5789 1.7004 -0.6109 -0.9156 -1.4156 -1.9156 -0.4156 -2.4156 -0.9156 -1.9156 -3.1709 -0.4156 -0.8224 0.7868 -4.3276 1.8049 2.7184 3.5845 4.3276 3.9209 -0.3017 -0.044 -1.8303 -1.0009 0.2044 -3.0356 -2.2256 -1.4288 2.202 -4.5202 -4.9169 -4.135 3.6493 4.9341 4.2309 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 7 7 10 10 12 13 14 15 18 23 24 25 19 20 23 26 18 20 12 13 14 15 16 16 19 24 25 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 549 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B3800400000000000000000000000000162C4800030000000000000005801F000001E04100000000C0CE5DE06B3DD93C81448AC03AD72FC0282F8A9652A39098835FE6CD88E26B2E4BDBF873928ECC713D8E9A79897C20E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 5-[2-(furan-2-carbonylamino)thiazol-4-yl]indoline-1-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-[[2-furanyl(oxo)methyl]amino]-4-thiazolyl]-2,3-dihydroindole-1-carboxylic acid methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 5-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]-2,3-dihydroindole-1-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 5-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]-2,3-dihydroindole-1-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 5-[2-(furan-2-ylcarbonylamino)-1,3-thiazol-4-yl]-2,3-dihydroindole-1-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-(2-furoylamino)thiazol-4-yl]indoline-1-carboxylic acid methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H15N3O4S/c1-24-18(23)21-7-6-12-9-11(4-5-14(12)21)13-10-26-17(19-13)20-16(22)15-3-2-8-25-15/h2-5,8-10H,6-7H2,1H3,(H,19,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UWRWZDVPDRQAGH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.07832714 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H15N3O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC(=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 COC(=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 2021.05.07 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.07832714 26 0 0 0 0 0 0 0 1 -1