58707167 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 10 11 11 12 12 14 14 15 16 17 17 18 19 19 20 21 22 22 23 23 24 24 25 25 25 26 13 14 11 12 8 9 10 13 15 16 18 18 21 41 21 26 11 27 28 12 29 30 13 31 32 33 34 35 36 15 16 37 17 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 1 1 1 2 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 5.8338 2.4067 3.5823 5.6646 8.4793 10.2114 11.0774 3.989 2.5878 4.1701 3.4013 2 5.1646 6.7473 6.6428 7.6133 7.6133 9.3454 8.4793 9.3454 11.0774 11.9434 12.8095 12.8095 13.6755 11.9434 4.4197 4.503 2.7587 2.0305 4.341 3.6128 3.2304 3.9585 1.5693 1.486 7.1035 7.0764 8.4793 9.8823 10.2114 11.9434 13.3464 13.3655 14.2124 13.9855 11.9434 0.7885 -2.2772 -0.6592 -0.8207 0.3817 0.3817 1.8817 -1.5727 -0.5546 0.1498 -2.3817 -1.3637 0.0453 0.3817 -0.6128 0.8817 1.8817 0.8817 2.3817 1.8817 0.8817 0.3817 0.8817 1.8817 0.3817 2.3817 -2.0187 -1.226 0.0413 -0.2828 0.7458 0.4216 -2.9777 -2.6535 -0.9177 -1.7104 -1.0276 2.1917 3.0017 2.1917 -0.2383 -0.2383 2.1917 -0.1552 0.0717 0.9187 3.0017 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 14 16 17 18 19 21 22 23 24 13 14 13 15 16 18 21 26 15 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 2021.10.14 436 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA0004000000000000000000000000001600000002C58B000000000000001F800001E04100000000C08E1DE063FB193C81408A4033667640082F0A9710A3849D82C3864988A60E2E0D991972008689002F8C8271080000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methyl-2-pyridyl)-6-[2-(morpholinomethyl)thiazol-5-yl]pyridin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methyl-2-pyridinyl)-6-[2-(4-morpholinylmethyl)-5-thiazolyl]-2-pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-methylpyridin-2-yl)-6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methylpyridin-2-yl)-6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methylpyridin-2-yl)-6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-2-pyridyl)-[6-[2-(morpholinomethyl)thiazol-5-yl]-2-pyridyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H21N5OS/c1-14-5-6-20-18(11-14)23-17-4-2-3-15(22-17)16-12-21-19(26-16)13-24-7-9-25-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,20,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VQBUYVKVYOXYNK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 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=CN=C(S3)CN4CCOCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NC=C1)NC2=CC=CC(=N2)C3=CN=C(S3)CN4CCOCC4 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