4582891 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 16 16 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 2 2 3 3 4 5 5 6 6 7 7 7 8 8 9 10 11 12 12 13 15 16 16 16 18 18 18 19 19 20 20 21 21 22 23 24 24 24 8 14 9 15 21 24 17 10 14 11 15 14 17 27 9 10 11 12 13 13 25 26 18 17 19 20 28 29 30 22 31 23 32 22 23 33 34 35 36 37 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 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 5.6051 3.5836 10.0938 8.5938 6.9989 3.5836 7.0938 5.3958 4.5298 6.2619 4.5298 6.2619 5.3958 6.5938 3 8.5938 8.0938 2 8.0938 9.5938 9.5938 8.5938 10.0938 11.0938 6.7988 5.3958 6.7838 2 1.38 2 7.4738 9.9038 8.2838 10.7138 11.0938 11.7138 11.0938 0.7307 1.8978 -3.7025 0.6276 1.5354 3.5072 -0.2384 1.7025 2.2025 2.2025 3.2025 3.2025 3.7025 0.6276 2.7025 -1.1044 -0.2384 2.7025 -1.9704 -1.1044 -2.8365 -2.8365 -1.9704 -3.7025 3.5125 4.3225 -0.7753 3.3225 2.7025 2.0825 -1.9704 -0.5675 -3.3734 -1.9704 -4.3225 -3.7025 -3.0825 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 6 8 8 9 10 11 12 16 16 19 20 21 21 8 14 9 15 10 14 11 15 9 10 11 12 13 13 19 20 22 23 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 473 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B3000600000000000000000000000000162C0000030600000000000005801FE00001E04100000000C0C81DE0233D7B2C81408AC032572740083F8A9652A39099835366CD88C26B2E4BD9B84312C6CC113E8E9A798DC02CE20008000200003004001000040000600000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(7-methylthiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(7-methyl-2-thiazolo[4,5-g][1,3]benzothiazolyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-<I>N</I>-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(7-methylthiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H13N3O2S2/c1-9-18-12-7-8-13-15(14(12)23-9)24-17(19-13)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GOOSOUULQONCOU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.04491901 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H13N3O2S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 121 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.04491901 24 0 0 0 0 0 0 0 1 -1