58706607 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 16 8 7 7 7 7 7 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 2 2 3 3 3 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 13 13 14 15 16 16 16 17 17 18 19 19 20 21 22 22 23 23 24 24 25 25 25 26 12 13 10 11 8 9 12 12 14 15 18 18 21 41 21 26 10 27 28 11 29 30 31 32 33 34 14 15 16 17 35 36 37 19 38 20 20 39 40 22 23 42 24 25 26 43 44 45 46 47 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 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 5.6527 2 3.989 5.4836 8.2983 10.0303 10.8964 3.4013 3.5823 2.4067 2.5878 4.9836 6.5662 6.4617 7.4323 7.2049 7.4323 9.1643 8.2983 9.1643 10.8964 11.7624 12.6284 12.6284 13.4944 11.7624 3.2304 3.9585 4.1839 3.5391 1.8052 2.45 2.7587 2.0305 6.79 7.6656 7.6197 6.8953 8.2983 9.7012 10.0303 11.7624 13.1654 13.1844 14.0314 13.8044 11.7624 0.2386 -0.191 -0.4001 -1.3706 -0.1682 -0.1682 1.3318 -1.2091 0.5135 -1.1045 0.618 -0.5046 -0.1682 -1.1627 0.3318 -1.8318 1.3318 0.3318 1.8318 1.3318 0.3318 -0.1682 0.3318 1.3318 -0.1682 1.8318 -1.805 -1.4809 0.6635 1.132 -1.2545 -1.723 1.214 0.8898 -2.2926 -2.2467 -1.3711 1.6418 2.4518 1.6418 -0.7882 -0.7882 1.6418 -0.7051 -0.4782 0.3688 2.4518 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 7 7 13 15 17 18 19 21 22 23 24 12 13 12 14 15 18 21 26 14 17 19 20 20 22 23 24 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 450 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA0004000000000000000000000000001600000002C58B000000000000001F800001E04100000000C08E1DE063FB193C81408A4033667640082F0A9710A3809D8343864988A20E2E0D991872008689002D8C8271080800A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-methyl-2-morpholino-thiazol-5-yl)-N-(4-methyl-2-pyridyl)pyridin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-[4-methyl-2-(4-morpholinyl)-5-thiazolyl]-N-(4-methyl-2-pyridinyl)-2-pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-<I>N</I>-(4-methylpyridin-2-yl)pyridin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(4-methylpyridin-2-yl)pyridin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(4-methylpyridin-2-yl)pyridin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [6-(4-methyl-2-morpholino-thiazol-5-yl)-2-pyridyl]-(4-methyl-2-pyridyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H21N5OS/c1-13-6-7-20-17(12-13)23-16-5-3-4-15(22-16)18-14(2)21-19(26-18)24-8-10-25-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,20,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WODKSHSQXLGXLP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.14668148 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H21N5OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NC=C1)NC2=CC=CC(=N2)C3=C(N=C(S3)N4CCOCC4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NC=C1)NC2=CC=CC(=N2)C3=C(N=C(S3)N4CCOCC4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.14668148 26 0 0 0 0 0 0 0 1 -1