55790199 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 43 44 45 46 47 48 49 50 16 9 8 8 8 7 7 7 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 1 1 1 1 2 3 4 5 5 6 6 6 7 7 7 8 8 9 9 9 9 10 10 11 11 12 13 13 14 14 15 16 16 17 18 18 18 20 20 20 22 22 23 23 24 25 25 26 26 27 28 28 30 30 30 21 24 27 15 19 29 30 10 12 15 19 21 43 21 22 10 11 31 32 33 34 12 13 14 16 35 17 36 18 17 19 37 20 38 39 40 41 42 23 24 25 26 44 27 45 28 46 29 29 47 48 49 50 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 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 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 4.7906 4.9836 10.6233 7.4362 2.9945 10.9805 6.5702 5.5996 10.9805 11.5641 10.0343 10.0343 9.1682 9.1682 11.2912 8.3022 8.3022 12.2697 7.4362 12.5803 5.7041 4.6215 4.2147 4.1215 4.8025 3.2202 4.3958 2.8135 3.4013 2 11.5179 10.7295 12.025 12.025 9.1682 9.1682 7.7653 12.8835 12.2902 11.991 12.7729 13.1696 6.5702 3.5049 5.4191 2.8558 2.1969 2.0648 1.3834 1.9352 -0.9313 4.123 -4.0241 0.4754 4.332 -2.3293 -1.0246 0.4699 -0.7198 -1.5246 -1.0246 -2.0246 -0.5246 -2.5246 -3.2798 -1.0246 -2.0246 -3.486 -0.5246 -4.4366 -0.5246 0.6779 1.5914 -0.1882 2.4004 1.6959 3.314 2.6095 3.4185 4.4366 -0.4106 -0.1529 -1.9393 -1.1098 0.0954 -3.1446 -2.3346 -3.3987 -2.8664 -4.6292 -5.0259 -4.244 -1.6446 -0.253 2.3356 1.1943 2.6743 5.0532 4.5014 3.82 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 8 8 11 11 12 13 14 16 22 23 23 25 26 27 28 21 24 21 22 12 13 14 16 17 17 24 25 26 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 639 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3100400000000000000000000000000162C0000030600000000000005801D000001F04100000000C0CC5DE0EB3D793C81408AC032572740082F8A9652A390988353E6CD88C26B2E4BD9B8431286CC713C8E9A798D9C39E28000200000200005000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-1-propanoyl-indoline-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-1-(1-oxopropyl)-2,3-dihydroindole-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-1-propionyl-indoline-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H20FN3O3S/c1-3-20(27)26-9-8-14-10-15(4-6-18(14)26)21(28)25-22-24-17(12-30-22)13-5-7-19(29-2)16(23)11-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IZMXCKPQKBTHPQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.12094084 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H20FN3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 99.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.12094084 30 0 0 0 0 0 0 0 1 -1