66025963 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 8 8 7 6 6 6 6 6 6 6 6 6 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 8 8 8 10 11 12 13 13 13 10 12 9 21 9 11 12 6 7 8 9 7 14 15 16 17 10 18 19 11 20 13 22 23 24 1 1 1 1 2 1 2 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 6.2518 2.5896 2.0544 6.7518 3.7486 4.4178 3.4396 4.4918 2.7976 5.4428 5.7518 7.0609 8.0119 4.9435 4.65 3.4612 2.8256 4.0032 4.7828 5.3874 2 7.8203 8.6016 8.2035 -0.6841 -1.0233 0.624 0.8548 0.2638 1.007 1.2149 -0.4053 -0.0452 -0.0963 0.8548 -0.0963 -0.4053 0.6784 1.5818 1.8345 1.1286 -0.787 -0.9527 1.3564 -1.2149 -0.9949 -0.5969 0.1844 8 8 8 8 8 1 1 4 4 10 10 12 11 12 11 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 228 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 00000371C0723000400000000000000000001800000160000000000000000000000000018000001E04000800000E00C1D2042E8912081208AC0010F74C0000F0A071083840500D384008002012609100844000048000E040019811020F00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methylthiazol-5-yl)methyl]cyclopropanecarboxylic 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-cyclopropanecarboxylic 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]cyclopropane-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]cyclopropane-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]cyclopropane-1-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-methylthiazol-5-yl)methyl]cyclopropanecarboxylic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C9H11NO2S/c1-6-10-5-7(13-6)4-9(2-3-9)8(11)12/h5H,2-4H2,1H3,(H,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ABKZOAYFIAOLIH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.05104977 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C9H11NO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC=C(S1)CC2(CC2)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC=C(S1)CC2(CC2)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 2021.05.07 197.05104977 13 0 0 0 0 0 0 0 1 -1