53377450 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 19 19 19 21 21 22 22 23 24 25 26 26 26 27 27 27 17 18 23 26 24 27 20 10 11 32 16 18 18 20 37 9 10 28 29 11 12 30 31 14 13 33 15 16 15 34 35 17 36 20 21 22 24 38 23 39 25 25 40 41 42 43 44 45 46 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 2 1 1 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 6.1105 5.5714 2.4067 4.6215 11.2375 7.5887 6.2038 11.2375 10.2913 11.8211 10.2913 9.4252 8.5592 9.4252 8.5592 7.6932 6.7796 6.6105 4.8025 5.2092 3.808 5.3903 4.9836 3.4013 3.989 5.1646 2 10.9865 11.7749 12.282 12.282 11.4301 9.4252 9.4252 8.0223 6.6507 6.5682 3.4436 6.0069 3.7369 4.5982 4.9124 5.731 1.4336 1.7478 2.5664 1.7562 -3.5731 -2.1641 0.6811 3.8973 1.098 -0.0234 2.2878 2.5926 3.0926 3.5926 2.0926 2.5926 4.0926 3.5926 2.0926 2.4993 0.8901 -1.0415 -0.1279 -1.146 -1.8505 -2.764 -2.0596 -2.8686 -4.4866 -3.0776 1.7209 1.9786 2.6778 3.5073 4.4866 1.4726 4.7126 3.9026 3.1058 -0.525 -0.6444 -1.7857 -3.435 -4.2344 -5.053 -4.7388 -2.8255 -3.644 -3.3298 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 9 9 11 12 13 14 16 19 19 21 22 23 24 17 18 16 18 11 12 14 13 15 15 17 21 22 24 23 25 25 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 511 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07B3000400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0CC5DE06B3D792C81408AC032572740082F8A9652A390988B53E6CD88C27B2E4BD9B8431286DD117C8E9A7BAE8DC8E08000308000200001000061000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(4-indolin-5-ylthiazol-2-yl)-3,5-dimethoxy-benzamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[4-(2,3-dihydro-1H-indol-5-yl)-2-thiazolyl]-3,5-dimethoxybenzamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[4-(2,3-dihydro-1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[4-(2,3-dihydro-1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(4-indolin-5-ylthiazol-2-yl)-3,5-dimethoxy-benzamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C20H19N3O3S/c1-25-15-8-14(9-16(10-15)26-2)19(24)23-20-22-18(11-27-20)12-3-4-17-13(7-12)5-6-21-17/h3-4,7-11,21H,5-6H2,1-2H3,(H,22,23,24) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HSGZKBHZXBMCRD-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 381.114712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C20H19N3O3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 381.44816 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NCC4)OC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NCC4)OC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 101 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 381.114712 27 0 0 0 0 0 0 0 1 3