2125057 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 17 16 16 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 8 8 8 10 11 11 13 13 14 15 15 15 16 16 17 18 17 8 12 12 14 9 9 10 21 11 12 10 18 9 19 20 13 14 15 16 22 23 24 25 26 17 27 18 28 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 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 10.5109 4.4487 2.6691 6.1808 7.0468 3.4782 8.7788 5.3147 6.1808 7.9128 2.5 3.5827 7.9128 2 2.0933 8.7788 9.6448 9.6448 4.9162 5.7133 7.0468 7.3759 1.3834 1.5269 1.8411 2.6597 8.7788 10.1818 2.058 0.558 0.4647 1.558 0.058 -0.9365 0.058 0.058 0.558 0.558 -1.1444 0.058 1.558 -0.2784 -2.058 2.058 1.558 0.558 -0.417 -0.417 -0.562 1.868 -0.2136 -1.8058 -2.6244 -2.3102 2.678 0.248 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 7 10 11 13 16 17 12 14 11 12 10 18 13 14 16 17 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 296 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07320006400000000000000000000000001600000002C000000000000000001E000001E0610000000080AC5D624BFB192C81008AC013777740082F1A9710F3809D8343866988820E2E19B91C42008689502C8C8261000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2-pyridyl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(5-chloropyridin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloropyridin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloranylpyridin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2-pyridyl)-2-[(4-methylthiazol-2-yl)thio]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KPVDBHRTXOFQDK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.9953820 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H10ClN3OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CSC(=N1)SCC(=O)NC2=NC=C(C=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CSC(=N1)SCC(=O)NC2=NC=C(C=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 108 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.9953820 18 0 0 0 0 0 0 0 1 -1