53377427 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 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 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 8 9 10 10 10 11 12 12 13 14 14 15 16 17 17 17 18 21 21 22 22 23 24 25 26 26 26 27 27 27 18 19 23 26 24 27 20 9 16 32 15 19 19 20 35 9 11 14 12 11 13 15 28 13 29 30 16 31 18 33 20 21 22 34 24 36 23 37 25 25 38 39 40 41 42 43 44 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 2 1 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 8.2414 2.9945 3.3566 6.5659 12.8684 8.4106 6.7469 11.9222 11.9222 10.1901 11.0562 11.0562 10.1901 12.8684 9.3241 13.452 5.1646 9.2196 7.7414 6.1591 4.7579 4.5768 3.5823 3.7634 3.1756 2 2.3621 11.0562 11.0562 9.6532 13.061 13.061 14.072 9.6803 6.4947 5.1223 4.829 2.559 1.9352 1.3834 2.0648 2.2973 1.7455 2.4269 1.1745 2.422 -1.0232 1.9265 -1.8326 -0.4346 0.204 -0.5279 -1.5279 -0.5279 -0.0279 -2.0279 -1.5279 -0.2232 -0.0279 -1.0279 0.9085 0.9666 0.3085 1.013 -0.0051 1.7175 1.613 -0.1096 0.6994 2.3174 -1.1277 0.5921 -2.6479 -1.8379 0.3661 -2.422 -1.0279 1.3815 -0.3624 -0.5067 2.2839 0.6346 2.934 2.2526 1.7008 -0.5111 -1.1925 -1.7443 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 6 6 8 8 8 9 10 10 12 14 15 17 17 21 22 23 24 18 19 9 16 15 19 9 11 14 12 11 13 13 16 18 21 22 24 23 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 511 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 2 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 00000371E07B3000400000000000000000000000000162C0000030600000000000005801FC00001E04100000000C0CC5DE06BFD7F2C99408AC033577740082F8A9752A3909D9B53E6CD88C27F2E4BD9B8431286DD117C8E9A7BAE8DC8E08000308000200001000061000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1H-indol-5-yl)thiazol-2-yl]-3,5-dimethoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1H-indol-5-yl)-2-thiazolyl]-3,5-dimethoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(1<I>H</I>-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1H-indol-5-yl)thiazol-2-yl]-3,5-dimethoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H17N3O3S/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/h3-11,21H,1-2H3,(H,22,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SSSSWPTVCOWAIB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.09906259 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H17N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NC=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NC=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 105 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.09906259 27 0 0 0 0 0 0 0 1 -1