6299659 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 50 51 16 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 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 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 14 15 15 16 16 17 17 18 18 20 21 21 22 22 23 24 24 25 25 26 26 27 28 28 28 29 29 29 13 16 14 19 23 28 8 9 12 10 11 13 13 19 10 30 31 11 32 33 34 35 36 37 14 15 17 18 38 19 21 20 39 20 40 41 22 42 23 24 25 26 43 27 44 27 45 46 29 47 48 49 50 51 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 16 1 19 21 22 42 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 50 51 5.2623 4.3393 7.1591 3.808 6.0714 6.0714 6.8804 5.2053 6.9374 5.2053 6.9374 6.0714 6.0714 5.2053 6.9374 5.5714 5.2053 6.9374 6.5714 6.0714 4.9836 3.989 3.4013 3.5823 2.4067 2.5878 2 3.2202 3.627 4.9933 4.5947 7.548 7.1494 4.5947 4.9933 7.1494 7.548 7.4743 4.6684 7.4743 6.0714 5.2357 3.9467 2.0423 2.3356 1.3834 2.7895 2.7062 3.0606 3.8791 4.1934 -0.7436 3.8442 -2.5036 -4.1217 2.8442 0.8442 -0.7436 2.3442 2.3442 1.3442 1.3442 3.8442 -0.1558 4.3442 4.3442 -1.6946 5.3442 5.3442 -1.6946 5.8442 -2.5036 -2.3991 -3.2081 -1.4856 -3.1036 -1.381 -2.19 -4.9307 -5.8442 2.9268 2.2366 2.2366 2.9268 1.4519 0.7616 0.7616 1.4519 4.0342 5.6542 5.6542 6.4642 -3.07 -0.984 -3.6052 -0.8146 -2.1252 -4.4847 -5.2774 -6.0964 -6.4106 -5.5921 8 8 8 8 8 8 8 8 8 8 8 8 12 12 14 15 17 18 22 22 23 24 25 26 14 15 17 18 20 20 23 24 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 648 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31004000000000000000000000000001000000003C6080000000000000014000001F04000000000C0CE1D80E33C683000408A802255274008218016122100988000E6CC80C6622C4B99B963828E4C011C8E98790C0200E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-5-[(2-ethoxyphenyl)methylene]-2-[4-(2-fluorophenyl)piperazin-1-yl]thiazol-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-5-[(2-ethoxyphenyl)methylidene]-2-[4-(2-fluorophenyl)-1-piperazinyl]-4-thiazolone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5<I>Z</I>)-5-[(2-ethoxyphenyl)methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-5-[(2-ethoxyphenyl)methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-5-[(2-ethoxyphenyl)methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (5Z)-5-(2-ethoxybenzylidene)-2-[4-(2-fluorophenyl)piperazino]-2-thiazolin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H22FN3O2S/c1-2-28-19-10-6-3-7-16(19)15-20-21(27)24-22(29-20)26-13-11-25(12-14-26)18-9-5-4-8-17(18)23/h3-10,15H,2,11-14H2,1H3/b20-15- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RQUPPXJGYZFPER-HKWRFOASSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.14167629 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H22FN3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1/C=C\2/C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.14167629 29 0 0 0 1 1 0 0 1 -1