650823 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 8 8 7 7 7 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 4 5 5 6 7 7 7 7 8 8 9 9 9 10 10 13 14 14 14 12 13 8 10 11 11 12 22 6 12 13 8 9 15 16 11 17 10 18 19 20 21 14 23 24 25 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 2 7 11 17 3 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 3.7601 8.0234 6.0554 5.5202 4.2601 3.2601 7.5234 7.2144 8.5234 8.8324 6.2633 4.5691 2.9511 2 7.5882 6.9169 7.1174 9.1298 8.4586 9.1424 9.3988 5.649 2.1916 1.4103 1.8084 0.7992 -0.4275 -1.1269 0.5204 -0.7397 -0.7397 1.1114 0.1603 1.1114 0.1603 -0.1487 0.2114 0.2114 0.5204 1.728 1.2403 -0.4521 1.2403 1.728 -0.3766 0.4125 1.1269 1.1101 0.712 -0.0692 8 8 8 8 8 3 1 1 5 5 6 8 12 13 6 12 13 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 227 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733000400000000000000000000000000162400000000000000000000000018000001E04180000000814A1C202031002C004082E00013030021000824000191500015000008200120088040700001419021000009814020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-methyl-1,3,4-thiadiazol-2-yl)tetrahydrofuran-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxolanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-methyl-1,3,4-thiadiazol-2-yl)tetrahydrofuran-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H11N3O2S/c1-5-10-11-8(14-5)9-7(12)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,9,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RLFBFKSVCVCFHJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 213.05719778 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H11N3O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 213.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NN=C(S1)NC(=O)C2CCCO2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NN=C(S1)NC(=O)C2CCCO2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 92.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 213.05719778 14 1 0 1 0 0 0 0 1 5