56443238 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 16 9 9 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 3 4 4 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 13 13 14 14 14 15 16 17 17 17 18 18 18 19 21 23 23 24 25 25 26 26 27 28 22 24 28 28 21 28 20 9 10 14 20 22 41 19 22 12 13 17 29 30 15 16 20 15 31 16 32 33 34 35 36 37 38 39 40 19 21 23 24 25 26 42 43 27 44 27 45 46 47 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 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 2.923 7.6224 7.8034 6.2211 2 2.866 3.732 4.5411 2.866 2 2.866 3.732 2 3.732 3.732 2 2 4.8198 4.232 2.866 5.8144 3.732 4.4131 3.232 6.4021 5.0009 5.9954 7.2156 1.788 1.3894 4.269 1.4631 3.422 4.269 4.042 4.269 1.4631 1.38 2 2.62 4.269 3.7965 2.8676 7.0188 4.7487 6.3598 6.9634 2.0526 1.7765 3.4991 2.7946 0.4648 -4.0352 0.4648 2.0526 -3.0352 -4.5352 -1.0352 -2.5352 -2.5352 -4.5352 -1.5352 -1.5352 -5.5352 3.8126 3.0036 -0.0352 3.7081 1.4648 4.7262 3.0036 4.5171 5.5352 5.4307 2.69 -3.9526 -4.6429 -2.8452 -2.8452 -5.0722 -4.8452 -3.9983 -1.2252 -1.2252 -5.5352 -6.1552 -5.5352 0.1548 4.791 3.5052 4.4523 6.1016 5.9323 3.2564 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 8 8 9 9 11 11 12 13 18 18 19 21 23 25 26 22 24 19 22 12 13 15 16 15 16 21 23 24 25 26 27 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 506 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B318040000000000000000000000000016000000030600000000000000001D000001F04100000000C0CC5DE16B3D793C81408AC032572740082F8A9652A390988353E6CD88C26B2E4BD9B8431286EC113C8E9A798C9A09E08000000000800001000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-2-thiazolyl]-4-[ethyl(methyl)amino]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-[bis(fluoranyl)methoxy]phenyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19F2N3O2S/c1-3-25(2)14-10-8-13(9-11-14)18(26)24-20-23-16(12-28-20)15-6-4-5-7-17(15)27-19(21)22/h4-12,19H,3H2,1-2H3,(H,23,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CSOSOOPERWKWBF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.11660436 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19F2N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3OC(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3OC(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 403.11660436 28 0 0 0 0 0 0 0 1 -1