60264942 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 16 8 8 8 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 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 13 13 14 15 15 17 18 19 19 19 19 21 22 22 22 23 23 23 24 24 24 25 25 25 20 21 14 24 16 25 17 8 17 34 18 20 8 9 10 11 26 27 12 13 28 29 30 31 32 33 14 35 15 36 16 16 37 18 21 20 22 23 38 39 40 41 42 43 44 45 46 47 48 49 50 51 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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 48 49 50 51 7.9128 2.866 4.5981 4.5981 5.4641 6.4347 4.5981 4.5981 4.5981 5.5981 3.5981 3.732 5.4641 3.732 5.4641 4.5981 5.4641 6.3301 7.8195 7.4128 7.2437 8.8141 7.2318 2 5.4641 4.386 3.9875 5.5981 6.2181 5.5981 3.5981 2.9781 3.5981 6.001 3.1951 6.001 6.001 7.2029 7.3726 8.8789 9.4307 8.7492 7.7334 6.8673 6.7302 2.31 1.4631 1.69 5.1541 6.001 5.7741 2.6239 -3.7125 -4.7125 2.2875 0.7875 3.282 -0.7125 0.2875 -1.7125 -0.7125 -0.7125 -2.2125 -2.2125 -3.2125 -3.2125 -3.7125 1.7875 2.2875 4.4035 3.4899 1.8808 4.508 5.2125 -3.2125 -5.2125 0.8701 0.1798 -1.3325 -0.7125 -0.0925 -0.0925 -0.7125 -1.3325 0.4775 -1.9025 -1.9025 -3.5225 4.3387 1.2743 3.8914 4.5728 5.1246 5.5769 5.7141 4.8481 -2.6756 -2.9025 -3.7494 -5.7494 -5.5225 -4.6756 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 9 9 12 13 14 15 18 20 21 18 20 12 13 14 15 16 16 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 444 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300040000000000000000000000000016000000030000000000000000001C000001E04100000000F0CC5DE06B28792C81408AC032572540082F8A0672A38088895BEACC80D6622A4B13B94302A24C611AAA88790D0F20FA0000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3,4-dimethoxyphenyl)-2-methyl-propyl]-2-isopropyl-thiazole-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-propan-2-yl-4-thiazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3,4-dimethoxyphenyl)-2-methyl-propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3,4-dimethoxyphenyl)-2-methyl-propyl]-2-isopropyl-thiazole-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H26N2O3S/c1-12(2)18-21-14(10-25-18)17(22)20-11-19(3,4)13-7-8-15(23-5)16(9-13)24-6/h7-10,12H,11H2,1-6H3,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BPHYNYFYOMQGNZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.16641387 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H26N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C1=NC(=CS1)C(=O)NCC(C)(C)C2=CC(=C(C=C2)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C1=NC(=CS1)C(=O)NCC(C)(C)C2=CC(=C(C=C2)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 88.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.16641387 25 0 0 0 0 0 0 0 1 -1