60590793 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 16 8 8 7 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 2 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 19 20 20 20 21 22 22 22 23 24 25 25 25 23 24 16 22 18 7 8 9 12 18 37 21 24 10 26 27 11 28 29 12 13 30 11 31 32 33 34 35 36 14 15 16 38 17 39 19 19 40 20 41 21 42 43 23 44 45 46 47 25 48 49 50 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 9 4 12 13 30 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 49 50 3.4945 5.4432 4.5772 8.0413 6.3092 3.6636 8.9548 8.1458 7.1753 9.624 9.124 6.3092 7.1753 6.3092 8.0413 6.3092 8.0413 5.4432 7.1753 5.4432 4.5772 5.4432 4.4727 2.9945 2 8.6448 9.4564 8.081 7.5258 7.1753 10.0388 10.1256 9.6904 8.9324 5.6987 6.0972 6.8462 5.7723 8.5782 8.5782 7.1753 6.0538 5.6553 4.8232 5.4432 6.0632 4.9334 1.9352 1.3834 2.0648 4.3512 -3.3512 1.1488 0.1488 1.1488 2.742 -0.258 1.1433 -0.3512 0.4852 1.3512 0.1488 -1.3512 -1.8512 -1.8512 -2.8512 -2.8512 1.6488 -3.3512 2.6488 3.1488 -4.3512 4.1433 3.4852 3.3807 -0.7949 -0.6224 1.7599 1.1433 0.2688 0.0244 0.8496 1.6034 1.9409 0.2564 -0.4338 1.4588 -1.5412 -1.5412 -3.1612 -3.9712 2.5411 3.2314 -4.3512 -4.9712 -4.3512 4.5582 3.9973 3.3159 2.7641 8 8 8 8 3 8 8 8 8 8 8 8 1 1 6 6 9 13 13 14 15 16 17 21 23 24 21 24 12 14 15 16 17 19 19 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 431 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 00000371E07B3000400000000000000000000000000162C0000030000000000000000001C000001E04100000000C2CC5DE06B28793C81408AC032572540082F8A0612A380888953E2C880C663AA4F51B94302864D611A8A807B0D0B20E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(2-methylthiazol-4-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(2-methyl-4-thiazolyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-2-(2-methylthiazol-4-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H25N3O2S/c1-14-21-16(13-25-14)11-19(23)20-12-18(22-8-3-4-9-22)15-6-5-7-17(10-15)24-2/h5-7,10,13,18H,3-4,8-9,11-12H2,1-2H3,(H,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MAJIMAGFBVYOBK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.16674822 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H25N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC(=CS1)CC(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC(=CS1)CC(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.16674822 25 1 0 1 0 0 0 0 1 -1