7087668 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 16 8 8 7 7 7 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 4 4 4 5 5 6 6 7 7 7 8 8 9 11 11 12 12 13 13 13 14 15 15 17 18 18 19 19 20 20 21 22 22 22 23 23 23 10 16 18 22 17 9 17 30 10 15 16 21 8 9 13 10 11 12 14 24 14 25 26 27 28 29 16 19 18 31 32 20 33 21 34 37 23 35 36 38 39 40 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 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 4.6783 10.7619 9.7619 8.2619 4.6783 2.866 6.7619 6.2619 7.7619 5.2619 6.7619 8.2619 6.2619 7.7619 3.732 3.732 9.2619 9.7619 2.866 2 2 11.2619 12.2619 6.4519 8.8819 5.7249 5.9519 6.7988 8.0719 7.9519 9.1793 9.8695 2.866 1.4631 10.6793 11.3695 1.4631 12.2619 12.8819 12.2619 0.4273 -1.366 0.366 -0.5 2.0368 0.2321 0.366 1.232 0.366 1.232 2.0981 1.232 -0.5 2.0981 1.732 0.7321 -0.5 -1.366 2.232 1.732 0.7321 -2.232 -2.232 2.635 1.232 -0.19 -1.0369 -0.81 2.635 -1.0369 -1.5781 -1.9766 2.8521 2.042 -2.4441 -2.8426 0.4221 -2.8521 -2.232 -1.612 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 6 6 7 7 8 9 11 12 15 15 19 20 10 16 10 15 16 21 8 9 11 12 14 14 16 19 20 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 409 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30004000000000000000000000000001600000003C400000000000005801FC00001E04100000000C08E1DE063EC1B2C81408AC033577540283F0A4711A3808D8347874980A60E2E09195972008609400F8C8071080800E80000040001200000000008000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-(2-methyl-3-thiazolo[5,4-b]pyridin-2-yl-phenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-methyl-3-(2-thiazolo[5,4-b]pyridinyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-<I>N</I>-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-ethoxy-N-(2-methyl-3-thiazolo[5,4-b]pyridin-2-yl-phenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H17N3O2S/c1-3-22-10-15(21)19-13-7-4-6-12(11(13)2)16-20-14-8-5-9-18-17(14)23-16/h4-9H,3,10H2,1-2H3,(H,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UQDFLIMKRJFLOE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.10414797 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H17N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOCC(=O)NC1=CC=CC(=C1C)C2=NC3=C(S2)N=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOCC(=O)NC1=CC=CC(=C1C)C2=NC3=C(S2)N=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 92.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.10414797 23 0 0 0 0 0 0 0 1 -1