8713252 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 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 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 5 5 5 6 6 7 7 7 7 8 9 9 9 10 10 10 13 13 14 14 15 15 16 17 18 19 20 20 21 21 22 22 23 23 24 25 25 25 26 26 26 11 16 17 25 18 26 12 10 12 31 8 11 8 12 27 28 16 11 14 15 13 29 30 20 21 17 32 19 33 34 18 19 35 22 36 23 37 24 38 24 39 40 41 42 43 44 45 46 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 2 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 5.8412 3.3001 5.0322 5.3457 3.7634 4.2232 3.9444 4.5322 5.0322 4.1701 5.0322 4.3511 3.5823 4.1662 5.8982 5.5322 4.1662 5.0322 5.8982 2.5878 3.989 2 3.4013 2.4067 2.4341 5.8982 3.4304 3.5137 4.6841 4.6008 3.1468 3.6292 6.4352 5.8966 6.4352 2.3356 4.6056 1.3834 3.6534 2.0423 2.7441 1.8972 2.1241 5.5882 6.4352 6.2082 -0.92 -4.5078 -5.5078 1.8582 2.5626 -0.92 0.8401 0.0311 -2.5078 3.4762 -1.5078 1.7536 4.2852 -3.0078 -3.0078 0.0311 -4.0078 -4.5078 -4.0078 4.1807 5.1988 4.9897 6.0078 5.9032 -4.0078 -6.0078 1.1868 0.3941 3.1295 3.9222 2.4978 -2.6978 -2.6978 0.5327 -4.3178 3.6143 5.2636 4.9249 6.5742 6.4048 -3.4708 -3.6978 -4.5447 -6.5447 -6.3178 -5.4708 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 8 9 9 13 13 14 15 17 18 20 21 22 23 11 16 8 11 16 14 15 20 21 17 19 18 19 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 445 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B300040000000000000000000000000016000000030600000000000000001D000001E04100000000C0CC5DE06B28792C81408AC032572540082F8A0612A380888B53EAC980D26BAA4F51B84302A64D611AAA807B0D0120E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-benzyl-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-(phenylmethyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(phenylmethyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-benzyl-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20N2O3S/c1-24-17-9-8-15(10-18(17)25-2)20-22-16(13-26-20)11-19(23)21-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NNMKWFMUZYQDBU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.11946368 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=CC=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=CC=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 88.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.11946368 26 0 0 0 0 0 0 0 1 -1