21993458 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 4 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 11 13 12 14 15 29 16 30 15 16 9 13 23 10 14 24 11 15 17 12 16 18 19 20 21 22 25 26 27 28 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 7 11 15 17 3 1 10 8 12 16 18 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 3.5929 0.5897 0.5897 1.1249 1.1249 3.0929 3.0929 2.2839 2.2839 2.5929 2.5929 3.9019 3.9019 1.3328 1.3328 2.1869 2.1869 2.6577 1.9864 2.6577 1.9864 3.0929 3.0929 4.2119 4.4683 4.2119 4.4683 0 0 2.2382 7.093 1.6473 6.5021 0 4.8548 0.6994 5.5542 1.2872 6.142 2.2382 7.093 1.2872 6.142 0.9781 5.833 0.6748 5.5296 2.8548 2.3671 7.7096 7.222 0.0794 4.9342 0.7502 1.5393 5.605 6.3942 1.4557 6.3105 3 3 9 10 15 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 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 00000371C0733800600000000000000000000000000162C00000000000000000000000000000001E04100800000828C5C004800802C002080800009008000000004000100000818800000200002000200040000010001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-4-carboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-thiazolidinecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-4-carboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C4H7NO2S/c2*6-4(7)3-1-8-2-5-3/h2*3,5H,1-2H2,(H,6,7) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QMALKJIJEIJVHG-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 C1C(NCS1)C(=O)O.C1C(NCS1)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NCS1)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