60245649 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 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 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 1 2 2 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 12 12 12 13 13 14 14 15 15 15 16 16 16 17 17 18 18 19 21 21 21 23 23 24 25 26 26 27 27 28 22 24 18 21 20 25 28 8 10 12 20 22 42 22 23 9 14 11 13 11 15 16 18 29 30 17 31 19 32 33 34 35 36 37 38 19 20 39 40 41 43 44 45 24 25 46 26 27 47 28 48 49 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 42 43 44 45 46 47 48 49 3.6585 11.4483 6.3041 2.1045 9.8484 5.4381 4.4676 8.9022 8.9022 10.432 9.8484 10.1591 8.0362 8.0362 11.432 10.1591 7.1702 11.1376 7.1702 6.3041 12.4268 4.5721 3.4894 2.9894 3.0827 3.5827 2.9136 2 9.5453 10.1385 8.0362 8.0362 11.432 12.052 11.432 10.7484 10.3517 9.5698 11.7514 11.1582 6.6332 5.4381 12.2989 13.0334 12.5546 2.3728 4.1993 3.0424 1.4631 -0.2102 -3.7155 1.1965 2.5204 -1.6082 -0.3035 1.191 -1.3035 -0.3035 -0.8035 0.0013 -2.5587 0.1965 -1.8035 -0.8035 0.9518 -0.3035 -2.7649 -1.3035 0.1965 -3.9217 0.1965 1.399 0.5329 2.3125 3.1785 3.9217 3.5149 -2.6461 -3.1784 0.8165 -2.4235 -1.4235 -0.8035 -0.1835 0.7592 1.5411 1.1444 -2.6776 -2.1453 -1.6135 -0.9235 -4.5284 -4.0495 -3.315 0.4681 3.2433 4.5281 3.8249 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 7 7 8 8 9 9 10 13 14 17 23 25 26 27 22 24 25 28 8 10 22 23 9 14 11 13 11 17 19 19 24 26 27 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 551 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000400000000000000000000000000162C4800030000000000000005801FE00001E04100000000C0CE5DE06B3D5F3CC1448AC03AD72F40482F8A9672A3909D835BE6CD88E26F2E4BDBB873928ECC113D8E9A798D9C39E88000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(2-furyl)thiazol-2-yl]-1-(2-methoxyethyl)-2,3-dimethyl-indole-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(2-furanyl)-2-thiazolyl]-1-(2-methoxyethyl)-2,3-dimethyl-5-indolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(2-methoxyethyl)-2,3-dimethylindole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(2-methoxyethyl)-2,3-dimethylindole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(2-methoxyethyl)-2,3-dimethyl-indole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(2-furyl)thiazol-2-yl]-1-(2-methoxyethyl)-2,3-dimethyl-indole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H21N3O3S/c1-13-14(2)24(8-10-26-3)18-7-6-15(11-16(13)18)20(25)23-21-22-17(12-28-21)19-5-4-9-27-19/h4-7,9,11-12H,8,10H2,1-3H3,(H,22,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LNWGODJTQPNHOT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.13036271 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H21N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CO4)CCOC)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CO4)CCOC)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 97.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.13036271 28 0 0 0 0 0 0 0 1 -1