70680659 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 16 8 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 5 6 6 7 7 7 8 8 9 9 9 9 10 10 10 11 11 12 12 12 12 13 13 13 14 14 14 15 15 16 16 18 18 18 19 19 20 20 21 21 23 23 23 24 25 26 27 3 4 6 19 22 27 17 15 16 17 22 45 22 26 10 11 17 28 11 29 30 31 32 13 14 18 33 15 34 35 16 36 37 38 39 40 41 42 43 44 20 21 24 46 25 47 24 25 26 48 49 27 50 2 2 1 1 1 1 2 1 1 1 1 1 2 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 1 1 1 2 1 2 1 1 1 1 2 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 2.5 4 2 2.6865 3 4.0878 3.809 4.2688 4.3734 5.1824 3 3.866 2.134 3.866 2.134 3.681 3 3 3.866 2.134 3.5 3 3.866 2.134 3 2.191 3.69 3.7774 4.6452 5.6284 5.5291 3.5369 4.4766 4.0781 1.9219 1.5234 4.0781 4.4766 1.5234 1.9219 3.62 3 2.38 4.7044 4.403 1.597 4.403 1.597 1.6013 2.5325 -3.0064 2.5325 2.5325 -4.8335 3.5325 -3.8154 -2.0553 -5.538 -6.5325 -5.9447 5.5325 5.0325 5.0325 4.0325 4.0325 -4.7289 6.5325 1.5325 1.0325 1.0325 -3.0064 -0.4675 0.0325 0.0325 -1.4675 -2.0553 -5.7601 -6.7034 -7.0897 -6.3754 -5.4307 5.8425 4.9248 5.6151 5.6151 4.9248 3.4499 4.1401 4.1401 3.4499 6.5325 7.1525 6.5325 -3.7506 1.3425 1.3425 -0.2775 -0.2775 -1.8637 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 19 19 20 21 23 23 26 22 27 22 26 20 21 24 25 24 25 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 631 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30006000000000000000000018000001600000003C400000000000000001C000001E04104000000D08C5DE04B39192C8100AAC0325727470C2F0B9610A3909883D3824988820B2A099118420086891028888271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]thiazol-2-yl]cyclopropanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-thiazolyl]cyclopropanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(4-methylpiperidino)sulfonylphenyl]thiazol-2-yl]cyclopropanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H23N3O3S2/c1-13-8-10-22(11-9-13)27(24,25)16-6-4-14(5-7-16)17-12-26-19(20-17)21-18(23)15-2-3-15/h4-7,12-13,15H,2-3,8-11H2,1H3,(H,20,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LFUBATTVJLWLEX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 405.11808395 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H23N3O3S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 405.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4CC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4CC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 405.11808395 27 0 0 0 0 0 0 0 1 -1