4243697 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 38 39 40 41 42 43 44 17 17 16 8 7 7 7 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 1 1 1 1 1 1 1 2 3 3 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 12 13 13 13 15 15 15 16 16 16 17 18 18 20 20 20 21 22 22 23 17 21 8 14 19 10 14 7 14 37 19 39 9 10 24 11 25 26 27 28 17 18 13 15 29 30 16 31 32 19 33 34 20 35 36 22 21 38 40 41 42 23 23 43 44 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 8 3 9 10 24 3 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 38 39 40 41 42 43 44 2 5.4641 4.7026 6.901 6.1808 6.0875 7.082 4.5981 3.732 5.5116 3.732 8.89 9.8845 5.6808 8.4833 10.2913 2.866 4.5981 7.4888 11.2858 4.5981 2.866 3.732 3.8852 3.52 3.1215 5.2016 6.0132 8.9333 8.2884 9.8413 10.4861 8.44 9.0848 10.3345 9.6897 5.7231 5.135 7.4464 11.3506 11.9024 11.221 2.3291 3.732 -2.3874 -4.3874 0.1072 3.0557 -0.551 1.2286 1.3331 -0.8874 -1.3874 -1.2941 -2.3874 3.2648 3.3693 0.3151 2.3512 4.2828 -2.8874 -2.8874 2.2467 4.3874 -3.8874 -3.8874 -4.3874 -0.4244 -0.8048 -1.495 -1.831 -1.6585 3.8832 3.4148 2.7508 3.2193 1.7327 2.2012 4.9013 4.4328 1.7302 -2.5774 0.8316 3.7708 4.4522 5.004 -4.1974 -5.0074 3 8 8 8 8 8 8 8 11 11 17 18 21 22 24 17 18 22 21 23 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 422 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E07B2000460000000000000000000000000100000000300000000000000000010000001E06180000000C02C5D824B30082620008A802215234000210016005121AA801000288082032A193108020002090000888071888800E00001020000100000000204000020000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 N'-[5-[(2,5-dichlorophenyl)methyl]-4,5-dihydrothiazol-2-yl]hexanehydrazide IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 N'-[5-[(2,5-dichlorophenyl)methyl]-4,5-dihydrothiazol-2-yl]hexanehydrazide IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 N'-[5-[(2,5-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]hexanehydrazide IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 N'-[5-[[2,5-bis(chloranyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]hexanehydrazide IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 N'-[5-(2,5-dichlorobenzyl)-2-thiazolin-2-yl]hexanohydrazide InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C16H21Cl2N3OS/c1-2-3-4-5-15(22)20-21-16-19-10-13(23-16)9-11-8-12(17)6-7-14(11)18/h6-8,13H,2-5,9-10H2,1H3,(H,19,21)(H,20,22) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 DJJISMQCSLDFQV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 4.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 373.078239 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C16H21Cl2N3OS Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 374.32844 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCCCCC(=O)NNC1=NCC(S1)CC2=C(C=CC(=C2)Cl)Cl SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCCCCC(=O)NNC1=NCC(S1)CC2=C(C=CC(=C2)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 78.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 373.078239 23 1 0 1 0 0 0 0 1 4