70525953 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 17 17 16 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 6 6 7 7 7 8 8 9 9 18 19 8 9 10 17 10 7 9 14 8 10 11 12 13 15 16 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 7 6 8 10 11 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 0 4.7341 6.5929 3.5896 4.1249 6.0929 5.2839 5.5929 6.9019 4.3328 5.1869 5.6577 4.9864 6.0929 7.2119 7.4683 3 1 5.7341 2.4274 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 2.4274 0 3 7 10 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 4 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623000460000000000000000000000000160000000000000000000000000000000001E04100800000828C5C004800802C002080800009008000000004000100000818800000200002000200040000010001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-4-carboxylic acid;dihydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-thiazolidinecarboxylic acid;dihydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid;dihydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid;dihydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-thiazolidine-4-carboxylic acid;dihydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 thiazolidine-4-carboxylic acid;dihydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO2S.2ClH/c6-4(7)3-1-8-2-5-3;;/h3,5H,1-2H2,(H,6,7);2*1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BBUUZDTYLYYANB-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.9731051 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H9Cl2NO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.09 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NCS1)C(=O)O.Cl.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NCS1)C(=O)O.Cl.Cl 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 2021.05.07 204.9731051 10 1 0 1 0 0 0 0 3 -1