70680670 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 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 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 6 6 7 7 7 8 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 17 17 18 18 19 19 21 21 21 22 23 24 25 4 5 6 17 20 25 16 12 13 16 20 39 20 24 10 11 16 26 11 27 28 29 30 14 31 32 15 33 34 15 35 36 37 38 18 19 22 40 23 41 22 23 24 42 43 25 44 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 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 3 2.5 2.6865 4 2 3 4.0878 3.809 4.2688 4.3734 5.1824 3.809 2.191 3.5 2.5 3.681 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 4.119 4.3754 1.6246 1.881 4.1064 3.4352 2.5648 1.8936 4.7044 4.403 1.597 4.403 1.597 1.6013 3.263 -2.2758 -4.1029 3.263 3.263 4.263 -3.0848 -1.3247 -4.8074 -5.8019 -5.2141 4.8508 4.8508 5.8019 5.8019 -3.9984 2.263 1.763 1.763 -2.2758 0.2631 0.7631 0.7631 -0.7369 -1.3247 -5.0296 -5.9728 -6.3591 -5.6448 -4.7001 4.3139 5.103 5.103 4.3139 5.9308 6.4185 6.4185 5.9308 -3.02 2.073 2.073 0.4531 0.4531 -1.1331 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 17 17 18 19 21 21 24 20 25 20 24 18 19 22 23 22 23 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 589 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 00000371E07B3000600000000000000000001800000162C0000030000000000000000001C000001E04104000000D08C5DE04B19192C8100AAC0325727470C2F0B9610A3909883D3824988820B2A099118420086891028888271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-yl]cyclopropanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]cyclopropanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]cyclopropanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H19N3O3S2/c21-16(13-3-4-13)19-17-18-15(11-24-17)12-5-7-14(8-6-12)25(22,23)20-9-1-2-10-20/h5-8,11,13H,1-4,9-10H2,(H,18,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PXTQLJGFLZXQRX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 377.08678382 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H19N3O3S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 377.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(C1)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 C1CCN(C1)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 2021.10.14 377.08678382 25 0 0 0 0 0 0 0 1 -1