60622003 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 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 1 2 3 3 4 4 5 5 5 6 6 7 7 7 7 8 8 9 11 11 11 13 13 14 14 15 15 15 16 17 17 17 18 18 19 20 21 21 22 23 24 25 25 25 26 26 26 27 27 27 12 16 10 22 26 23 27 8 10 15 9 12 9 10 28 29 13 14 16 12 18 21 19 30 20 31 32 33 34 35 19 20 25 22 36 37 38 24 39 23 24 40 41 42 43 44 45 46 47 48 49 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 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 47 48 49 5.4071 4.9116 2.866 4.5981 3.3292 3.7891 3.5103 3.736 4.0981 3.917 4.5981 4.5981 4.7305 3.1482 2.3347 5.0981 4.5494 3.732 5.1372 3.5549 5.4641 3.732 4.5981 5.4641 4.9562 2 5.4641 2.9963 3.0796 5.0949 2.5316 2.2699 1.7181 2.3995 5.4625 3.1951 5.7538 3.1905 6.001 6.001 5.5226 5.2084 4.3898 2.31 1.4631 1.69 5.1541 6.001 5.7741 -1.0245 1.7536 -4.6123 -5.6123 2.4581 -1.0245 0.7356 3.3717 -0.0735 1.6491 -2.6123 -1.6123 3.4762 4.1807 2.3536 -0.0735 5.1988 -3.1123 4.3897 5.0942 -3.1123 -4.1123 -4.6123 -4.1123 6.1123 -4.1123 -6.1123 1.0823 0.2896 2.9746 4.1159 2.9702 2.2888 1.737 0.4281 -2.8023 4.4546 5.5958 -2.8023 -4.4223 5.8601 6.6787 6.3645 -3.5754 -3.8023 -4.6492 -6.6492 -6.4223 -5.5754 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 8 8 9 11 11 13 14 17 17 18 21 22 23 12 16 9 12 13 14 16 18 21 19 20 19 20 22 24 23 24 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 484 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 0 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 00000371E07B300040000000000000000000000000016000000030600000000000000001D000001E04000000000C0C85DE06B2C793081408AC032572540082F8A0612A380888353EEC980D26BAE4F59B84302A64C611EAE807B0D0120E28000100000040005000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-methyl-N-(p-tolyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-methyl-N-(4-methylphenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-<I>N</I>-methyl-<I>N</I>-(4-methylphenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylphenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylphenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-methyl-N-(p-tolyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H22N2O3S/c1-14-5-8-17(9-6-14)23(2)20(24)12-16-13-27-21(22-16)15-7-10-18(25-3)19(11-15)26-4/h5-11,13H,12H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DZTOXXFWCCJYSJ-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 2021.05.07 382.13511374 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H22N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)N(C)C(=O)CC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)N(C)C(=O)CC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 79.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.13511374 27 0 0 0 0 0 0 0 1 -1