65194351 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 16 8 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 9 11 12 13 14 14 14 11 13 10 24 10 12 13 6 7 9 10 8 15 16 8 17 18 19 20 11 21 22 12 23 14 25 26 27 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 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 6.5654 2.4149 3.702 7.0654 4.0621 4.7313 3.319 3.9881 4.8053 3.393 5.7563 6.0654 7.3744 8.3254 5.192 5.1461 2.8582 2.9041 4.403 3.5274 4.3167 5.0964 5.7009 2 8.1338 8.9151 8.517 -0.8069 -0.3943 -1.5532 0.7319 0.141 0.8841 0.8101 1.5532 -0.5282 -0.6022 -0.2192 0.7319 -0.2192 -0.5282 0.4692 1.3449 1.225 0.3493 2.014 1.9681 -0.9099 -1.0756 1.2335 -0.855 -1.1178 -0.7198 0.0615 8 8 8 8 8 1 1 4 4 11 11 13 12 13 12 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 240 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0723000400000000000000000000000600160000000000000000000000000018000001E04000800000E00C1D2042E8912081208AC0010F74C0000F0A071083840500D384008002012609100844000048000E040019891020F00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methylthiazol-5-yl)methyl]cyclobutanecarboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methyl-5-thiazolyl)methyl]-1-cyclobutanecarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methylthiazol-5-yl)methyl]cyclobutanecarboxylic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H13NO2S/c1-7-11-6-8(14-7)5-10(9(12)13)3-2-4-10/h6H,2-5H2,1H3,(H,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VZUSYCCICZGCFU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 211.06669983 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H13NO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 211.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC=C(S1)CC2(CCC2)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC=C(S1)CC2(CCC2)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 211.06669983 14 0 0 0 0 0 0 0 1 -1