66203830 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 8 10 10 10 11 11 12 12 13 14 14 15 15 16 17 17 18 18 19 20 9 12 7 10 8 11 9 13 19 31 32 7 9 14 8 15 11 21 22 23 24 13 17 18 16 25 16 26 27 19 28 20 29 20 30 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 2 1 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 3.8047 4.76 4.76 2.1953 4 3 3.866 3.866 3 5.666 5.666 3.5 2.5 2.134 3 2.134 4 2 3.5 2.5 5.8751 6.2769 6.2769 5.8751 1.597 3 1.597 4.62 1.38 2.19 3.69 4.62 0.2315 1.7804 3.8498 0.2315 -3.3128 1.8151 2.3151 3.3151 0.8151 2.2943 3.3359 -0.7147 -0.7147 2.3151 3.8151 3.3151 -1.5808 -1.5808 -2.4468 -2.4468 1.7106 2.4004 3.2298 3.9196 2.0051 4.4351 3.6251 -1.5808 -1.5808 -2.9837 -3.8498 -3.3128 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 6 6 7 8 12 12 13 14 15 17 18 19 9 12 9 13 7 14 8 15 13 17 18 16 16 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 00000371C073300040000000000000000000000000016000000034608000000000005891F400001E04100000000C0CA1DE0230C7B2481408A4032462440083F8A0612A3848983C36EC980D26A2E4B19B86382EE6D011EAE807B0C0300E00008100200841000001020040108200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,3-dihydro-1,4-benzodioxin-5-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-5-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-5-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-5-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-5-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-5-yl)-1,3-benzothiazol-6-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H12N2O2S/c16-9-4-5-11-13(8-9)20-15(17-11)10-2-1-3-12-14(10)19-7-6-18-12/h1-5,8H,6-7,16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LUOARORGKREGQQ-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(C=CC=C2O1)C3=NC4=C(S3)C=C(C=C4)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COC2=C(C=CC=C2O1)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