18225385 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 16 9 8 8 7 7 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 3 3 4 5 5 5 6 6 7 7 7 8 8 10 11 11 12 12 13 13 14 14 15 15 16 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 8 9 24 11 17 10 7 9 10 9 12 8 25 26 27 28 11 29 30 13 14 15 16 18 31 19 32 33 34 35 20 21 19 36 37 22 38 23 39 24 40 24 41 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 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 5.5116 4.2559 3.4242 3.0084 4.7026 3.732 5.6808 6.1808 4.5981 3.9595 4.1674 3.732 2.866 4.5981 2.866 2 3.6321 4.5981 3.732 4.5832 2.889 4.7911 3.0969 4.048 6.2472 5.4892 6.5956 6.6823 4.7422 4.4959 5.135 2.3291 2.31 1.4631 1.69 5.135 3.732 5.0439 2.2993 5.3808 2.6362 -2.2685 5.3618 1.4492 -0.5071 -0.8672 -2.3618 -0.6593 -1.5254 -1.8618 -0.1981 0.78 -3.3618 -3.8618 -3.8618 -4.8618 -3.3618 2.4273 -4.8618 -5.3618 2.7363 3.0964 3.7145 4.0746 4.3836 -0.4072 -0.0697 -1.9861 -1.1609 0.5478 1.3058 -3.5518 -5.1718 -2.8248 -3.0518 -3.8987 -5.1718 -5.9818 2.3215 2.9049 3.9061 4.4895 8 8 8 8 8 8 8 8 8 8 8 8 12 12 13 14 15 17 17 18 20 21 22 23 13 14 15 18 19 20 21 19 22 23 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 466 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3100400000000000000000000000000160000000306000000000000000014000001F04000000000C0CE5D80EB3C683000408A802255274028218016022100988004E6C880E262284B99F833820E4C61198E80790C0000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-fluorophenoxy)-1-[2-(o-tolylimino)thiazolidin-3-yl]ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-fluorophenoxy)-1-[2-(2-methylphenyl)imino-3-thiazolidinyl]ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-fluorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-fluorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-fluoranylphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-fluorophenoxy)-1-[2-(o-tolylimino)thiazolidin-3-yl]ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17FN2O2S/c1-13-4-2-3-5-16(13)20-18-21(10-11-24-18)17(22)12-23-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BDEOASXOIQXYOJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.09947712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H17FN2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1N=C2N(CCS2)C(=O)COC3=CC=C(C=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1N=C2N(CCS2)C(=O)COC3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 67.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.09947712 24 0 0 0 0 0 0 0 1 -1