69605132 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 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 8 8 8 10 10 11 11 12 12 13 13 13 14 7 8 9 15 6 9 13 15 24 25 7 10 12 9 16 17 11 18 14 15 14 19 20 21 22 23 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 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 6.895 8.6651 3.403 6.895 2.5369 6.001 6.001 7.801 7.801 5.135 4.269 5.135 6.8834 4.269 3.403 8.4119 8.0101 5.135 5.135 6.2635 6.8762 7.5034 3.732 2 2.5369 1.5346 -0.5242 -1.5 -0.5347 -0 -0 1 1.0208 -0.0208 -0.5 -0 1.5 -1.5346 1 -0.5 0.9147 1.6045 -1.12 2.12 -1.5275 -2.1546 -1.5418 1.31 -0.31 0.62 8 8 8 8 8 8 6 6 7 10 11 12 7 10 12 11 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 295 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07330004000000000000000000000000000000000003C4000000000000000B10000001E04100000000C0885D804B2C183400008880225525000820000250A1008881D0864C8082032E09591842108608600E8C9871C88008E10000040000001002000008000000200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methyl-3-oxidanylidene-1,4-benzothiazine-6-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-keto-4-methyl-1,4-benzothiazine-6-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10N2O2S/c1-12-7-4-6(10(11)14)2-3-8(7)15-5-9(12)13/h2-4H,5H2,1H3,(H2,11,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QLCJDARCNKRLOT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.04629874 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C(=O)CSC2=C1C=C(C=C2)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C(=O)CSC2=C1C=C(C=C2)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 88.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.04629874 15 0 0 0 0 0 0 0 1 -1