60245653 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 16 8 8 8 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 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 14 14 15 15 17 17 17 18 19 19 19 20 21 22 22 22 23 24 23 24 11 13 16 22 20 7 20 40 21 24 10 17 25 9 11 26 27 12 28 29 14 15 30 31 19 32 33 16 18 16 34 18 35 36 37 38 39 41 42 43 21 23 44 45 46 47 48 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 7 5 10 17 25 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 42 43 44 45 46 47 48 7.9128 4.5981 2.866 4.5981 5.4641 6.4347 4.5981 5.4641 6.3301 4.5981 5.4641 6.3301 4.5981 3.732 5.4641 3.732 3.732 5.4641 7.1962 5.4641 6.3301 2 7.2437 7.4128 4.5981 4.8535 5.252 6.9407 6.5422 6.0747 5.6762 5.7196 6.1181 3.1951 6.001 4.042 3.1951 3.422 6.001 6.001 6.8862 7.7331 7.5062 2.31 1.4631 1.69 7.3726 7.665 4.4852 -1.8512 -0.8512 4.1488 2.6488 5.1433 2.1488 -3.3512 -3.8512 1.1488 -2.3512 -4.8512 -0.8512 0.6488 0.6488 -0.3512 2.6488 -0.3512 -5.3512 3.6488 4.1488 -0.3512 3.742 5.3512 2.7688 -3.2436 -3.9338 -3.9589 -3.2686 -2.4589 -1.7686 -4.7436 -5.4338 0.9588 0.9588 3.1857 2.9588 2.1118 -0.6612 2.3388 -5.8882 -5.6612 -4.8143 0.1857 -0.0412 -0.8882 3.1356 5.9176 8 8 8 8 3 8 8 8 8 8 8 8 1 1 6 6 7 10 10 13 13 14 15 21 23 24 21 24 17 14 15 16 18 16 18 23 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 383 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300040000000000000000000000000016000000030000000000000000001C000001E04100000000C2CE5DE06B68792C81408AC032573540082F8A0772A3808C8959EACC80D6622A4B13B96382AE4D6118AA887B0D0B30E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(3-methoxy-4-pentoxy-phenyl)ethyl]thiazole-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-4-thiazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(3-methoxy-4-pentoxy-phenyl)ethyl]-1,3-thiazole-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(4-amoxy-3-methoxy-phenyl)ethyl]thiazole-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H24N2O3S/c1-4-5-6-9-23-16-8-7-14(10-17(16)22-3)13(2)20-18(21)15-11-24-12-19-15/h7-8,10-13H,4-6,9H2,1-3H3,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YVHHDOLAVBIQRA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.15076381 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H24N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CSC=N2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CSC=N2)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 2021.05.07 348.15076381 24 1 0 1 0 0 0 0 1 -1