49719832 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 16 16 8 8 7 7 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 2 2 3 4 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 11 14 14 14 14 16 17 17 18 18 19 11 13 16 19 12 15 10 13 13 15 26 8 9 20 21 10 22 23 12 24 25 11 12 15 16 27 28 17 18 29 19 30 31 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 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 4.6783 7.8551 2.866 6.2619 4.6783 6.2619 2 2.866 2 3.732 3.732 2.866 5.2619 7.7619 6.7619 8.2619 9.2564 9.4643 8.5983 1.3894 1.788 2.4675 3.2646 1.788 1.3894 6.5719 8.3445 7.6542 9.6713 10.0307 8.5335 1.4621 -1.9882 2.6574 -1.0747 -0.1474 0.6574 0.1574 -0.3426 1.1574 0.1574 1.1574 1.6574 0.6574 -0.2087 -0.2087 -1.0747 -1.1792 -2.1574 -2.6574 0.265 -0.4252 -0.8176 -0.8176 1.74 1.0497 1.1943 0.0034 0.4019 -0.7185 -2.4095 -3.274 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 10 16 17 18 11 13 16 19 10 13 11 17 18 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 378 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073300060000000000000000000000000016240000030000000000000005801E000001E0410000000080C85D600B19192C81008AC01A572740003F0A965083949981D3040C888203AE09D1184018028910268C9671809001000000000000000000000000000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(7-oxo-5,6-dihydro-4<I>H</I>-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-keto-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H12N2O2S2/c16-10-5-1-4-9-12(10)19-13(14-9)15-11(17)7-8-3-2-6-18-8/h2-3,6H,1,4-5,7H2,(H,14,15,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GSUUTNVNXBRYQC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.03401998 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H12N2O2S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C(C(=O)C1)SC(=N2)NC(=O)CC3=CC=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2=C(C(=O)C1)SC(=N2)NC(=O)CC3=CC=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 116 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.03401998 19 0 0 0 0 0 0 0 1 -1