768524 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 16 8 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 8 9 9 10 11 13 13 13 7 12 8 13 6 12 10 16 17 12 18 19 7 8 9 11 10 14 11 15 20 21 22 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 2 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 6.0812 4.269 6.0812 2.5369 7.6648 5.135 5.135 4.269 4.269 3.403 3.403 6.6648 3.403 4.269 2.866 2 2.5369 7.9748 7.9748 3.713 2.866 3.093 -1.2447 1.56 0.3647 -1.44 -0.44 0.06 -0.94 0.56 -1.44 -0.94 0.06 -0.44 2.06 -2.06 0.37 -1.13 -2.06 -0.9769 0.0969 2.5969 2.37 1.5231 8 8 8 8 8 8 8 8 8 8 1 1 3 3 6 6 7 8 9 10 7 12 6 12 7 8 9 11 10 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.402 Cactvs xemistry.com 2012.05.21 192 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.402 Cactvs xemistry.com 2012.05.21 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.402 Cactvs xemistry.com 2012.05.21 2 Count Rotatable Bond 5 E_NROTBONDS 3.402 Cactvs xemistry.com 2012.05.21 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.402 Cactvs xemistry.com 2012.05.21 00000371C073200040000000000000000000000000016000000030000000000000005801F000001E0410000000080C81D60233D7B2481408A4012462640483F8A9616A3940983C276C988E26A2E4B19B85302C66D01B58E8279050010000008006200011000001000C40002200000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.05.21 4-methoxy-1,3-benzothiazole-2,6-diamine IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.05.21 4-methoxy-1,3-benzothiazole-2,6-diamine IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.05.21 4-methoxy-1,3-benzothiazole-2,6-diamine IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.05.21 4-methoxy-1,3-benzothiazole-2,6-diamine IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.05.21 (2-amino-4-methoxy-1,3-benzothiazol-6-yl)amine InChI Standard 1 1.0.4 InChI iupac.org 2012.05.21 InChI=1S/C8H9N3OS/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,9H2,1H3,(H2,10,11) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.05.21 CYICLOPCYFOPRK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.05.21 1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 195.046633 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 C8H9N3OS Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 195.24156 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.05.21 COC1=C2C(=CC(=C1)N)SC(=N2)N SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.05.21 COC1=C2C(=CC(=C1)N)SC(=N2)N Topological Polar Surface Area 7 E_TPSA 3.402 Cactvs xemistry.com 2012.05.21 102 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 195.046633 13 0 0 0 0 0 0 0 1 2