61117184 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 16 9 8 7 7 6 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 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 14 15 16 16 17 18 19 19 20 8 9 17 10 6 7 10 18 32 33 8 21 22 9 11 23 24 13 12 14 25 16 17 15 26 15 27 28 18 29 19 20 20 30 31 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 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 4.666 6.3981 3.8 4.666 6.3981 5.5321 3.8 5.5321 3.8 4.666 2.9061 5.5321 2.9061 2 2 5.5321 6.3981 6.3981 7.2641 7.2641 5.7441 6.1426 6.1426 5.7441 2.9132 2.9132 1.4643 1.4643 4.9951 7.801 7.801 6.935 5.8612 3.1377 1.1377 -0.3623 1.1377 -2.8623 1.6377 1.6377 2.6377 2.6377 0.1377 1.103 -0.3623 3.1723 1.6168 2.6585 -1.3623 0.1377 -1.8623 -0.3623 -1.3623 1.0551 1.7453 2.53 3.2203 0.483 3.7923 1.3048 2.9705 -1.6723 -0.0523 -1.6723 -3.1723 -3.1723 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 11 12 12 13 14 16 17 18 19 9 11 13 14 16 17 15 15 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 368 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371C07321004000000000000000000000000000000000003C6080000000000000B14000001F04100000000C08C5D80CB0C183400008880225525000820000250A1008881D0864C8082032E09591842108609600E8C9871C88008E00000040000001000000008000000200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-fluoro-phenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-azanyl-2-fluoranyl-phenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-fluoro-phenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H13FN2OS/c16-12-6-5-10(17)9-11(12)15(19)18-7-8-20-14-4-2-1-3-13(14)18/h1-6,9H,7-8,17H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SSAZBUCABBHUAL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.07326238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H13FN2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CSC2=CC=CC=C2N1C(=O)C3=C(C=CC(=C3)N)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CSC2=CC=CC=C2N1C(=O)C3=C(C=CC(=C3)N)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.07326238 20 0 0 0 0 0 0 0 1 -1