57396635 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 52 53 16 8 7 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 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 14 15 15 17 17 17 18 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 27 16 27 21 22 7 13 39 13 16 20 17 18 19 14 16 8 9 28 10 29 30 11 31 32 12 33 34 12 35 36 37 38 14 15 23 24 21 40 41 22 42 43 25 26 27 44 45 46 47 48 25 49 26 50 51 52 53 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 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 42 43 44 45 46 47 48 49 50 51 52 53 10.4851 2 8.2788 9.5388 4 8.5878 8.9479 8.6389 9.926 9.308 10.5952 10.2862 8.5878 8 7 9.5388 3.5 3.5 5 10.4851 2.5 2.5 6.5 6.5 5.5 5.5 11.0687 8.3414 8.2572 8.0914 9.6938 10.4518 9.5403 8.7822 10.9769 11.1426 10.9001 10.3078 7.6723 3.3923 4.0826 4.0826 3.3923 10.6777 1.9174 2.6077 2.6077 1.9174 6.81 6.81 5.19 5.19 11.6887 -2.4704 -1.6657 0.0944 -1.1657 -1.6657 -2.4747 0.8375 1.7886 0.6296 2.5317 1.3728 2.3238 -0.8567 -1.6657 -1.6657 -2.1657 -2.5317 -0.7997 -1.6657 -0.861 -2.5317 -0.7997 -2.5317 -0.7997 -2.5317 -0.7997 -1.6657 0.9664 2.2771 1.4975 0.0548 0.3011 3.1066 2.8603 0.8842 1.6638 2.4101 2.9434 0.2233 -3.1423 -2.7438 -0.5876 -0.1891 -0.2716 -2.7438 -3.1423 -0.1891 -0.5876 -3.0687 -0.2627 -3.0687 -0.2627 -1.6657 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 4 6 6 13 15 15 19 19 20 23 24 16 27 13 16 20 14 16 14 23 24 25 26 27 25 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 475 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA000400000000000000000000000000162C000003C608000000016000001F000001E04100000000C28E5DE06BDF197CC1C08A4033667640082F0AD711AB849D8AC3874988A68E2C09991972008689002D8C8271080800E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-(4-morpholinophenyl)imidazo[2,1-b]thiazol-5-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-[4-(4-morpholinyl)phenyl]-5-imidazo[2,1-b]thiazolamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclohexyl-6-(4-morpholin-4-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-(4-morpholin-4-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclohexyl-6-(4-morpholin-4-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyclohexyl-[6-(4-morpholinophenyl)imidazo[2,1-b]thiazol-5-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H26N4OS/c1-2-4-17(5-3-1)22-20-19(23-21-25(20)12-15-27-21)16-6-8-18(9-7-16)24-10-13-26-14-11-24/h6-9,12,15,17,22H,1-5,10-11,13-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ULCHJALZVCDNEC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.18273264 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H26N4OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)NC2=C(N=C3N2C=CS3)C4=CC=C(C=C4)N5CCOCC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)NC2=C(N=C3N2C=CS3)C4=CC=C(C=C4)N5CCOCC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.18273264 27 0 0 0 0 0 0 0 1 -1