23963101 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 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 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 8 9 9 11 12 13 13 14 14 15 15 16 16 17 17 18 19 20 20 20 22 22 23 23 24 24 25 25 26 26 27 10 12 11 17 20 21 8 10 11 9 10 21 22 39 9 28 29 30 31 12 13 14 32 15 16 18 33 19 34 18 19 35 36 21 37 38 23 24 25 40 26 41 27 42 27 43 44 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 12 1 11 13 14 32 3 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 10.0878 9.7788 6.5 5.5 11.0388 11.9851 4 11.9851 12.5687 11.0388 10.0878 9.5 8.5 8 7 8.5 7 6.5 8 5.5 5 3.5 2.5 4 2 3.5 2.5 12.5224 11.734 13.0295 13.0295 8.19 6.69 9.12 5.88 8.31 5.6077 4.9174 3.69 2.19 4.62 1.38 3.81 2.19 1.775 4.3441 -0.88 -2.6121 3.0841 1.7793 -1.7461 3.3888 2.5841 2.0841 3.3931 2.5841 2.5841 1.718 1.718 0.852 -0.014 0.852 -0.014 -0.88 -1.7461 -2.6121 -2.6121 -3.4781 -3.4781 -4.3441 -4.3441 3.698 3.9557 2.1693 2.9988 3.121 2.255 0.852 0.852 -0.5509 -0.2695 -0.668 -1.2091 -2.0752 -3.4781 -3.4781 -4.8811 -4.8811 8 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 11 12 14 14 15 16 17 17 22 22 23 24 25 26 10 12 10 11 12 13 15 16 18 19 18 19 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 2021.05.07 634 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 00000371E07B3000400000000000000000000000000162000000306000000000100000014000001E04100000000C0CE1D80631C683C00408A802255274028218016122100988004E6CC80E6622C4B99F973828E4D611D8E98790C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]-N-phenyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]-N-phenylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]-<I>N</I>-phenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]-N-phenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(3-oxidanylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]-N-phenyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(3-keto-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]-N-phenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H17N3O3S/c24-18(22-15-4-2-1-3-5-15)13-26-16-8-6-14(7-9-16)12-17-19(25)23-11-10-21-20(23)27-17/h1-9,12H,10-11,13H2,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ILRXCHOOWDVCFZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.09906259 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H17N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4)SC2=N1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4)SC2=N1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.09906259 27 0 0 0 1 0 1 0 1 -1