972984 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 8 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 5 6 6 6 7 7 8 8 9 9 10 11 11 12 12 13 14 15 4 5 10 6 10 18 14 15 7 16 17 8 9 11 19 12 20 14 13 21 13 22 23 15 24 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 2 1 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 5.6808 2.866 3.732 4.7026 6.1808 2.866 2.866 2 3.732 3.732 2 3.732 2.866 4.5981 5.5116 2.654 2.2554 4.269 1.4631 4.269 1.4631 4.269 2.866 5.6405 3.1012 1.8988 0.3988 2.8933 2.2352 -0.1012 -1.1012 -1.6012 -1.6012 1.3988 -2.6012 -2.6012 -3.1012 1.8988 1.4921 0.4814 -0.2089 0.0888 -1.2912 -1.2912 -2.9112 -2.9112 -3.7212 0.8856 8 8 8 8 8 8 8 8 8 8 8 1 1 4 5 7 7 8 9 11 12 14 4 5 14 15 8 9 11 12 13 13 15 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 219 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C073200040000000000000000000000000016000000030000000000000000001C000001E00104000000C08C19E043C8092C00000A80335775000820004261200089881B874C808602A80D1119420886086008888C71080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 N-benzyl-1,2,5-thiadiazole-3-carboxamide IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 N-(phenylmethyl)-1,2,5-thiadiazole-3-carboxamide IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 N-benzyl-1,2,5-thiadiazole-3-carboxamide IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 N-(phenylmethyl)-1,2,5-thiadiazole-3-carboxamide IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 N-benzyl-1,2,5-thiadiazole-3-carboxamide InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/C10H9N3OS/c14-10(9-7-12-15-13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,14) InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 WYZDZWYFLWYAHW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 219.046633 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C10H9N3OS Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 219.26296 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC=C(C=C1)CNC(=O)C2=NSN=C2 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC=C(C=C1)CNC(=O)C2=NSN=C2 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 83.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 219.046633 15 0 0 0 0 0 0 0 1 2