53434225 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 16 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 -1 1 1 2 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 5 7 10 10 5 6 15 8 11 7 10 12 13 14 9 16 17 18 19 20 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 4 8 11 3 1 6 4 7 10 12 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 5.0032 2 2.5352 4.5032 5.3122 3.6942 4.0032 6.2633 7.0064 2.7431 5.7506 3.5972 4.068 3.3968 4.5032 5.9722 6.7519 7.4213 7.4672 6.5916 1.1191 0.5282 -1.1191 -0.4197 0.1681 0.1681 1.1191 -0.141 0.5282 -0.141 0.6065 -0.4443 1.7357 1.248 -1.0397 -0.6884 -0.5227 0.0674 0.943 0.9889 3 3 5 6 8 10 -1 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 134 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 1 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 00000371C0623000400000000000000000000000000160000000000000000000000000000000001E04100000000828C5C004820802C00008080000900800000000400010000081880000020000200020040000001000B000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylthiazolidine-4-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethyl-4-thiazolidinecarboxylate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethyl-1,3-thiazolidine-4-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethyl-1,3-thiazolidine-4-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethyl-1,3-thiazolidine-4-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylthiazolidine-4-carboxylate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H11NO2S/c1-2-5-7-4(3-10-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RSZVGLFPGDKTDK-UHFFFAOYSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 160.04322474 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H10NO2S- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 160.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1NC(CS1)C(=O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1NC(CS1)C(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 160.04322474 10 2 0 2 0 0 0 0 1 -1