22302524 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 16 8 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 7 7 7 8 8 8 9 9 10 10 9 10 11 18 12 19 11 12 20 21 8 10 17 9 11 13 14 15 12 16 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 8 7 9 11 13 3 1 10 1 7 12 16 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 3.5929 0.5897 5.5961 1.1249 5.0609 3.0929 3.0929 2.2839 2.5929 3.9019 1.3328 4.853 2.1869 2.6577 1.9864 3.9989 3.0929 0 6.1858 3.6298 2.5559 2.2382 1.6473 1.6473 0 0 4.8548 0.6994 1.2872 2.2382 1.2872 0.9781 0.9781 0.6748 2.8548 2.3671 0.6748 0.0794 1.4557 1.4557 5.1648 5.1648 3 3 8 10 11 12 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 195 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623800400000000000000000000000000160000000000000000000000000000000001E04100800000828C5C004800802C00208080000900800000000400010000081880000020000200020004000001000B000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-2,4-dicarboxylic acid;hydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-2,4-dicarboxylic acid;hydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-2,4-dicarboxylic acid;hydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H7NO4S.H2O/c7-4(8)2-1-11-3(6-2)5(9)10;/h2-3,6H,1H2,(H,7,8)(H,9,10);1H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FGQGIULHTAHHEZ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.02014356 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H9NO5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NC(S1)C(=O)O)C(=O)O.O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NC(S1)C(=O)O)C(=O)O.O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.02014356 12 2 0 2 0 0 0 0 2 -1