1208504 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 16 8 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 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 4 5 6 6 6 7 7 8 8 8 9 9 9 10 10 12 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 21 22 22 24 25 25 26 26 27 27 28 29 29 29 11 13 12 18 21 24 29 23 9 11 12 10 11 22 23 41 10 30 31 32 33 13 14 15 34 16 17 19 35 20 36 19 20 37 38 23 39 40 24 25 26 27 42 28 43 28 44 45 46 47 48 1 1 2 1 1 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 1 2 2 1 1 1 1 2 1 1 1 1 1 13 1 12 14 34 15 2 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 10.0878 9.7788 6.5 5 5.5 11.0388 11.9851 4 11.9851 12.5687 11.0388 10.0878 9.5 8.5 8 8.5 7 7 8 6.5 5.5 3.5 5 4 2.5 3.5 2 2.5 5.5 12.5224 11.734 13.0295 13.0295 8.19 9.12 6.69 8.31 5.88 4.9174 5.6077 3.69 2.19 3.81 1.38 2.19 6.0369 5.81 4.9631 -3.8686 -1.2995 0.4045 3.0026 2.1366 -2.5596 -3.8643 1.2705 -2.2549 -3.0596 -3.5596 -2.2506 -3.0596 -3.0596 -2.1936 -1.3275 -2.1936 -0.4615 -0.4615 -1.3275 0.4045 2.1366 1.2705 3.0026 2.1366 3.8686 3.0026 3.8686 3.8686 -1.9456 -1.688 -3.4743 -2.6449 -3.5965 -1.3275 -2.7305 0.0754 -1.3275 0.1925 -0.2061 0.7336 1.5996 4.4056 3.0026 4.4056 3.5586 4.4056 4.1786 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 12 15 15 16 17 18 18 22 22 24 25 26 27 11 13 11 12 13 16 17 19 20 19 20 24 25 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 687 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800400000000000000000000000000162000000306000000000100000014000001E04100000000C0CE1D80633C683C00408A802255274028218016122100988004F6CC80E6622C4B99F973828E4D611D8E98790C0000E20000000000010004000000000002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2-methoxyphenyl)-2-[4-[(<I>E</I>)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxidanylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[(E)-(3-keto-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H19N3O4S/c1-27-17-5-3-2-4-16(17)23-19(25)13-28-15-8-6-14(7-9-15)12-18-20(26)24-11-10-22-21(24)29-18/h2-9,12H,10-11,13H2,1H3,(H,23,25)/b18-12+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PAQISHJOVJXUJU-LDADJPATSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.10962727 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H19N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N4CCN=C4S3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)/C=C/3\C(=O)N4CCN=C4S3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 106 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.10962727 29 0 0 0 1 1 0 0 1 3