68936942 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 30 16 8 8 7 6 6 6 6 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 6 7 7 8 8 7 8 9 16 9 6 8 13 7 9 10 11 12 14 15 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 6 5 7 9 10 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 1.9841 3.5929 0.5897 1.1249 3.0929 2.2839 2.5929 3.9019 1.3328 2.1869 2.6577 1.9864 3.0929 4.2119 4.4683 0 0 4.7382 4.1473 2.5 3.1994 3.7872 4.7382 3.7872 3.4782 3.1748 5.3548 4.8671 2.5794 3.2502 4.0393 3.9557 3 6 9 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180623000400000020000000000000000000160000000000000000000000000000000001E04100800000828C5C004800802C002080800009008000000004000100000818800000200002000200040000010001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-4-carboxylic acid;zinc IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-thiazolidinecarboxylic acid;zinc IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid;zinc IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid;zinc IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid;zinc IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-4-carboxylic acid;zinc InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO2S.Zn/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GZSSVMJWLNEKQE-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.948891 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H7NO2SZn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 198.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NCS1)C(=O)O.[Zn] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NCS1)C(=O)O.[Zn] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 196.948891 9 1 0 1 0 0 0 0 2 -1