2768203 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 16 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 7 7 8 9 9 10 11 11 12 12 12 13 13 14 5 7 10 5 8 6 14 6 9 8 10 15 11 16 12 13 17 18 19 20 14 21 22 1 1 2 2 1 1 2 1 2 2 1 1 1 1 1 2 1 1 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 4.3794 3.5823 3.5704 6.216 4.4839 5.35 3.4013 2.9013 5.35 2.9945 6.216 2 7.082 7.082 2.2846 4.813 6.216 1.9352 1.3834 2.0648 7.619 7.619 -0.532 -2.4625 0.8692 0.4625 0.4625 0.9625 -0.7399 0.1261 1.9625 -1.6535 2.4625 -1.758 1.9625 0.9625 0.1909 2.2725 3.0825 -1.1414 -1.8228 -2.3746 2.2725 0.6525 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 6 7 9 11 13 5 7 5 8 6 14 9 8 11 13 14 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 222 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07320004000000000000000000000000001600000002C000000000000000001E000001E0400000000080CC1D6043E8192081008AC01B477440082F0A0750A3848D82D3864D80860EAE09191942088608000E8C8C71000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(2-pyridyl)thiazol-5-yl]ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(2-pyridinyl)-5-thiazolyl]ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(2-pyridyl)thiazol-5-yl]ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H8N2OS/c1-7(13)9-6-12-10(14-9)8-4-2-3-5-11-8/h2-6H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UCSRGSZNLJYPSP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.03573406 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H8N2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CN=C(S1)C2=CC=CC=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CN=C(S1)C2=CC=CC=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.03573406 14 0 0 0 0 0 0 0 1 -1