12725098 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 16 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 5 6 6 6 9 9 10 10 11 11 11 12 12 13 13 14 4 8 6 8 17 7 8 7 7 9 10 11 15 16 12 18 13 19 20 21 22 14 23 14 24 25 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 2.366 3.9538 3.675 2.057 2.866 3.5471 2.866 3.366 3.732 2 4.1349 3.732 2 2.866 3.1164 3.0331 4.5704 4.269 1.4631 4.6364 4.4993 3.6333 4.269 1.4631 2.866 1.0036 1.8126 0.0526 0.0526 -1.5352 2.7262 -0.5352 1.0036 -2.0352 -2.0352 3.5352 -3.0352 -3.0352 -3.5352 3.1722 2.3795 1.7478 -1.7252 -1.7252 3.1708 4.0368 3.8996 -3.3452 -3.3452 -4.1552 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 5 5 9 10 12 13 4 8 7 8 7 9 10 12 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 171 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073000040000000000000000000000000016000000030000000000000000001C000001C04104000000C00C11B04331086C81000A4022262240082D0092000A90988A02804988828A28099118420086890020888071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H11N3S/c1-2-11-10-12-9(13-14-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OHZGPFLYXAJITG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.06736854 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H11N3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCNC1=NC(=NS1)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCNC1=NC(=NS1)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 66 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.06736854 14 0 0 0 0 0 0 0 1 -1