4878080 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 29 30 31 32 33 34 35 36 37 38 39 16 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 8 8 9 12 12 13 13 13 14 14 15 15 16 17 17 17 18 18 18 19 19 20 21 21 21 8 11 16 21 10 10 17 18 11 12 22 7 9 23 11 9 10 13 14 15 24 25 26 16 27 19 28 20 29 30 31 32 33 34 20 35 36 37 38 39 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 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 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 4.5981 8.0622 2 2.866 6.3301 4.5981 5.4641 3.732 3.732 2.866 5.4641 7.1962 2.866 7.1962 8.0622 8.0622 2 3.732 8.9282 8.9282 8.9282 6.3301 4.5981 2.556 2.3291 3.176 6.6592 8.0622 2.31 1.4631 1.69 4.042 4.269 3.422 9.4651 9.4651 8.6182 9.4651 9.2382 1 -2 0.5 2 1 -1 -0.5 0.5 -0.5 1 0.5 0.5 -1 -0.5 1 -1 2.5 2.5 0.5 -0.5 -2.5 1.62 -1.62 -0.4631 -1.31 -1.5369 -0.81 1.62 3.0369 2.81 1.9631 1.9631 2.81 3.0369 0.81 -0.81 -3.0369 -2.81 -1.9631 8 8 8 8 8 8 12 12 14 15 16 19 14 15 16 19 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E073B000400000000000000000000000000000000000304000000000000000010000001E0418000000080C81D00633C683E20408A800255270009208006122101988000E6CC80C2622C4B99B84302866D21948E9479050030000000002000000000000000400000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-methoxyanilino)-N,N,5-trimethyl-4H-1,3,4-thiadiazine-6-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-methoxyanilino)-N,N,5-trimethyl-4H-1,3,4-thiadiazine-6-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-methoxyanilino)-<I>N</I>,<I>N</I>,5-trimethyl-4<I>H</I>-1,3,4-thiadiazine-6-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-methoxyanilino)-N,N,5-trimethyl-4H-1,3,4-thiadiazine-6-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(3-methoxyphenyl)amino]-N,N,5-trimethyl-4H-1,3,4-thiadiazine-6-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(m-anisidino)-N,N,5-trimethyl-4H-1,3,4-thiadiazine-6-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H18N4O2S/c1-9-12(13(19)18(2)3)21-14(17-16-9)15-10-6-5-7-11(8-10)20-4/h5-8,16H,1-4H3,(H,15,17) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RJLWJVBEKFHHDE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 306.11504700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H18N4O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 306.39 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=NN1)NC2=CC(=CC=C2)OC)C(=O)N(C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=NN1)NC2=CC(=CC=C2)OC)C(=O)N(C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 91.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 306.11504700 21 0 0 0 0 0 0 0 1 -1