49712044 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 16 16 8 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 2 2 3 4 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 13 13 14 14 14 14 15 15 15 16 16 16 17 17 17 18 21 21 22 11 22 18 20 12 12 20 31 19 20 7 8 11 12 9 23 24 10 25 26 10 27 28 29 30 13 21 32 15 16 33 34 17 35 36 18 37 38 19 39 40 19 22 41 42 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 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 8.8833 4.6783 6.2619 6.2619 4.6783 7.7619 8.7129 7.7619 9.3007 8.7129 7.9698 6.7619 7.3007 2 2 2.866 2.866 3.732 3.732 5.2619 7.8007 8.7789 8.4608 9.2499 7.633 7.1453 9.7615 9.7615 9.2499 8.4608 6.5719 6.6841 1.3894 1.788 1.788 1.3894 2.4675 3.2646 3.2646 2.4675 7.5485 9.2397 -1.0242 0.4219 -0.5054 1.2267 2.0314 0.3606 0.0516 1.3606 0.8606 1.6697 -0.6175 0.3606 -1.3606 0.7267 1.7267 0.2267 2.2267 0.7267 1.7267 1.2267 -2.2267 -2.0187 -0.5148 -0.2584 1.9671 1.2958 0.4458 1.2755 1.9797 2.2361 1.7636 -1.2958 0.8343 0.1441 2.3093 1.619 -0.2483 -0.2483 2.7016 2.7016 -2.7931 -2.4336 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 11 13 18 21 11 22 18 20 19 20 13 21 19 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 425 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20006000000000000000000000000001E244000030000000000000005801E000001E04100000000E0885D600B19192C81008AC012572740003F0A961083949981D304088882032E09D1184000028810268C8271888800F00000000000000000000000000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(2-thienyl)cyclopentanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylcyclopentane-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylcyclopentane-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-yl-cyclopentane-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(2-thienyl)cyclopentanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H20N2OS2/c20-15(17(9-3-4-10-17)14-8-5-11-21-14)19-16-18-12-6-1-2-7-13(12)22-16/h5,8,11H,1-4,6-7,9-10H2,(H,18,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GZPUGWCDVKTEEB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.10170561 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H20N2OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC2=C(C1)N=C(S2)NC(=O)C3(CCCC3)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC2=C(C1)N=C(S2)NC(=O)C3(CCCC3)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 98.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.10170561 22 0 0 0 0 0 0 0 1 -1