55551260 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 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 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 5 5 5 6 6 7 7 7 8 8 9 9 9 10 11 11 12 12 12 13 13 14 15 15 15 16 16 17 17 17 18 18 19 20 22 23 24 24 25 25 26 20 21 10 23 26 22 8 9 10 14 21 21 22 42 11 13 15 27 28 12 16 17 14 29 30 18 31 20 32 33 34 19 35 36 37 38 19 39 40 41 23 24 25 43 26 44 45 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 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 6.5468 5.4641 10.2927 8.2224 3.732 6.3776 8.0413 3.732 2.866 4.5981 2.866 4.5981 4.5981 5.4641 2.866 2.866 2 4.5981 3.732 5.5686 7.0468 8.6291 9.6236 10.1236 11.1018 11.2063 2.2554 2.654 4.386 3.9875 5.135 3.486 2.866 2.246 2.3291 2.31 1.4631 1.69 5.135 3.732 5.1079 8.2935 9.8714 11.5625 11.7432 2.7252 -0.4772 3.2023 3.4772 -0.4772 1.116 1.7547 -1.4772 0.0228 0.0228 -1.9772 1.0228 -1.9772 1.5228 1.0228 -2.9772 -1.4772 -2.9772 -3.4772 2.5173 1.8592 2.5637 2.4592 1.5931 1.801 2.7956 0.1304 -0.5598 1.6054 0.9151 -1.6672 1.0228 1.6428 1.0228 -3.2872 -0.9403 -1.1672 -2.0142 -3.2872 -4.0972 2.9322 1.1883 1.0267 1.3862 3.1056 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 6 6 8 8 11 13 14 16 18 23 24 25 20 21 23 26 14 21 11 13 16 18 20 19 19 24 25 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 504 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300040000000000000000000000000016240000030000000000000000001F000001E04100000000C0CE5DE06B3D593C81448AC03AD72F40282F8A9652A39098815FE6CC88E263AE4FDBF873928ECC713D8E9A79897020E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(N-ethyl-2-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-2-thiazolyl]-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[2-(<I>N</I>-ethyl-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-[ethyl-(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(N-ethyl-2-methyl-anilino)-2-keto-ethyl]thiazol-2-yl]-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H19N3O3S/c1-3-22(15-8-5-4-7-13(15)2)17(23)11-14-12-26-19(20-14)21-18(24)16-9-6-10-25-16/h4-10,12H,3,11H2,1-2H3,(H,20,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FVAMHGXSRRXFKQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.11471265 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H19N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C1=CC=CC=C1C)C(=O)CC2=CSC(=N2)NC(=O)C3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C1=CC=CC=C1C)C(=O)CC2=CSC(=N2)NC(=O)C3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.11471265 26 0 0 0 0 0 0 0 1 -1