22601871 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 16 16 8 8 8 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 10 14 12 13 15 29 15 16 30 16 9 14 23 11 12 28 10 15 17 18 19 13 20 21 16 22 24 25 26 27 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 7 10 15 17 3 1 12 2 8 16 22 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 3.5929 1.8754 0.5897 1.1249 3.8786 3.3434 3.0929 1.3754 2.2839 2.5929 0.5664 2.1844 0.8754 3.9019 1.3328 3.1355 2.1869 2.6577 1.9864 0 0.2564 2.6228 3.0929 0.9402 0.269 4.2119 4.4683 1.3754 0 4.4683 7.093 2.2382 6.5021 4.8548 1.6473 0 5.5542 0.6994 6.142 7.093 1.2872 1.2872 2.2382 6.142 5.833 0.9781 5.5296 7.7096 7.222 1.5393 0.7502 1.7256 4.9342 2.8548 2.3671 5.605 6.3942 0.0794 6.3105 1.4557 3 3 9 12 15 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 212 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 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 00000371C0733800600000000000000000000000000162C00000000000000000000000000000001E04100800000828C5C004800802C00208080000900800000000400010000081880000020000200020004000001000B000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-2-carboxylic acid;thiazolidine-4-carboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-thiazolidinecarboxylic acid;4-thiazolidinecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-2-carboxylic acid;1,3-thiazolidine-4-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-2-carboxylic acid;1,3-thiazolidine-4-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-2-carboxylic acid;1,3-thiazolidine-4-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-2-carboxylic acid;thiazolidine-4-carboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C4H7NO2S/c6-4(7)3-1-8-2-5-3;6-4(7)3-5-1-2-8-3/h2*3,5H,1-2H2,(H,6,7) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WUORXTZGCRHGGE-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.03949928 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H14N2O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CSC(N1)C(=O)O.C1C(NCS1)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CSC(N1)C(=O)O.C1C(NCS1)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 149 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.03949928 16 2 0 2 0 0 0 0 2 -1