62541766 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 16 8 8 7 7 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 2 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 12 12 13 14 14 15 15 16 16 17 18 18 20 20 20 21 21 21 11 13 17 20 19 21 6 10 31 11 12 7 11 22 8 23 24 9 25 26 10 27 28 29 30 13 14 32 15 16 17 33 18 34 19 19 35 36 37 38 39 40 41 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 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 6 4 7 11 22 3 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 4.0981 2.866 4.5981 5.2791 5.4071 5.6859 6.6804 7.2682 6.8614 5.8669 5.0981 4.5981 3.7891 4.5981 3.732 5.4641 3.732 5.4641 4.5981 2 5.4641 5.938 6.5095 7.2376 7.6989 7.7822 7.463 6.8182 6.0378 5.3097 4.6625 3.1994 3.1951 6.001 6.001 2.31 1.4631 1.69 5.1541 6.001 5.7741 1.7536 -2.7852 -3.7852 3.4762 0.8026 2.5626 2.4581 3.2671 4.1807 4.2852 1.7536 0.2148 0.8026 -0.7852 -1.2852 -1.2852 -2.2852 -2.2852 -2.7852 -2.2852 -4.2852 1.9962 1.8621 2.1863 2.8212 3.6138 4.3307 4.7992 4.8812 4.557 3.541 0.611 -0.9752 -0.9752 -2.5952 -1.7483 -1.9752 -2.8222 -4.8222 -4.5952 -3.7483 8 8 8 8 3 8 8 8 8 8 8 8 1 1 5 5 6 12 14 14 15 16 17 18 11 13 11 12 11 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 331 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 00000371E07B30004000000000000000000000000001600000003C400000000000000001C000001E04100000000C2CC5DE06B28792C81408A4032462440082F8A0612A380888B43EAC980D66A2A4B11B94302A64D011AAA807B0D0B30E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-2-(2-piperidyl)thiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-2-(2-piperidinyl)thiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-2-piperidin-2-yl-1,3-thiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-2-piperidin-2-yl-1,3-thiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-2-piperidin-2-yl-1,3-thiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-2-(2-piperidyl)thiazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H20N2O2S/c1-19-14-7-6-11(9-15(14)20-2)13-10-21-16(18-13)12-5-3-4-8-17-12/h6-7,9-10,12,17H,3-5,8H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CNMMVLNZJQRBEX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.12454906 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H20N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)C2=CSC(=N2)C3CCCCN3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)C2=CSC(=N2)C3CCCCN3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.12454906 21 1 0 1 0 0 0 0 1 -1