66203832 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 16 8 8 7 7 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 2 2 3 3 4 4 5 5 5 6 6 6 7 7 8 9 11 11 11 12 12 13 13 14 14 15 16 17 17 18 18 19 20 10 14 7 11 8 12 10 15 19 31 32 9 10 13 8 9 16 21 12 22 23 24 25 16 26 15 17 18 27 19 28 20 29 20 30 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 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 5.5918 9.1869 9.1869 4.7871 2.62 6.5609 8.293 8.293 7.4269 5.6949 10.093 10.093 6.5609 4.62 4.12 7.4269 4.12 3.12 3.12 2.62 7.4269 10.302 10.7038 10.7038 10.302 6.024 7.4269 4.43 2.81 2 2 2.93 -0.2726 0.6815 2.7508 1.1212 -2.2138 1.2161 1.2161 2.2161 0.7161 0.7161 1.1953 2.2369 2.2161 -0.4818 0.3842 2.7161 -1.3478 0.3842 -1.3478 -0.4818 0.0961 0.6116 1.3014 2.1308 2.8206 2.5261 3.3361 -1.8848 0.9212 -0.4818 -2.2138 -2.7508 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 6 6 7 7 8 13 14 14 15 17 18 19 10 14 10 15 9 13 8 9 16 16 15 17 18 19 20 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 357 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073300040000000000000000000000000016000000034608000000000005891F400001E04100000000C0CA1DE0230C7B2481408A4032462440083F8A0612A3848983C36EC980D26A2E4B19B86382EE4D011EAE807B0D0120E20008100200041004001020040008200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzothiazol-6-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H12N2O2S/c16-10-2-3-11-14(8-10)20-15(17-11)9-1-4-12-13(7-9)19-6-5-18-12/h1-4,7-8H,5-6,16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HLEUPCRMKGSYEK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.06194880 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H12N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COC2=C(O1)C=CC(=C2)C3=NC4=C(S3)C=C(C=C4)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COC2=C(O1)C=CC(=C2)C3=NC4=C(S3)C=C(C=C4)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 85.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.06194880 20 0 0 0 0 0 0 0 1 -1