69233076 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 17 17 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 1 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 5 5 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 18 20 21 21 22 22 23 23 24 26 26 27 47 48 25 26 13 14 10 11 12 17 19 19 20 41 20 22 25 27 13 28 29 14 30 31 15 32 33 34 35 36 37 16 17 18 38 39 19 40 21 23 42 24 25 24 43 44 27 45 46 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 2 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 5.6681 5.6681 11.0504 0.6106 2.3426 4.9407 6.6728 8.4048 10.2414 2.3426 1.4766 3.2087 1.4766 0.6106 4.0747 4.9407 4.0747 5.8067 5.8067 7.5388 7.5388 9.2708 8.4048 9.2708 10.1369 11.7195 11.2195 2.5547 2.9532 1.8751 1.0781 3.6072 2.8101 1.0781 1.8751 0.3985 0 4.9407 3.5378 6.3437 6.6728 7.0018 8.4048 9.8078 12.3361 11.4717 6.6681 6.6681 2.5 0 7.1756 7.2688 8.2688 6.7688 6.7688 6.7688 5.7743 7.2688 8.7688 8.7688 6.7688 8.2688 8.2688 8.7688 7.2688 8.2688 7.2688 7.2688 8.2688 7.2688 8.7688 8.2688 6.7688 6.4324 5.5664 6.6862 7.3765 9.2438 9.2438 9.2438 9.2438 6.2939 6.2939 8.8514 8.1612 9.3888 6.9588 8.5788 6.1488 8.5788 9.3888 8.5788 6.4972 5 2.5 0 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 8 8 9 9 15 15 16 18 20 21 22 23 26 25 26 17 19 20 22 25 27 16 17 18 19 21 23 24 24 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 409 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 3 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 00000371E07BA0004600000000000000000000000001600000002C58B000000000000001F800001E04100000000C08E5DE06BDB193C81408A4033667640082F0A9710A3849D82C3864988A60E2E0D991972008689002F8C8271000000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[5-(morpholinomethyl)-2-pyridyl]-6-thiazol-2-yl-pyridin-2-amine;dihydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[5-(4-morpholinylmethyl)-2-pyridinyl]-6-(2-thiazolyl)-2-pyridinamine;dihydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5-(morpholinomethyl)-2-pyridyl]-(6-thiazol-2-yl-2-pyridyl)amine;dihydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H19N5OS.2ClH/c1-2-15(18-19-6-11-25-18)21-17(3-1)22-16-5-4-14(12-20-16)13-23-7-9-24-10-8-23;;/h1-6,11-12H,7-10,13H2,(H,20,21,22);2*1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HZIYCYNKWYRPED-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 425.0843869 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H21Cl2N5OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 426.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1CC2=CN=C(C=C2)NC3=CC=CC(=N3)C4=NC=CS4.Cl.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1CC2=CN=C(C=C2)NC3=CC=CC(=N3)C4=NC=CS4.Cl.Cl 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 2021.10.14 425.0843869 27 0 0 0 0 0 0 0 3 -1