3240665 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 16 16 9 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 2 2 3 4 4 5 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 16 17 17 18 18 19 20 11 13 14 15 19 12 13 13 14 29 14 16 8 9 21 22 10 23 24 11 25 26 12 27 28 12 16 17 18 19 30 20 31 20 32 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 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 7.2228 5.5443 2 8.6166 7.1279 5.5443 8.8258 9.6919 7.9598 9.6919 7.9598 8.8258 7.6279 6.1279 4.5981 4.5981 3.732 3.732 2.866 2.866 8.4273 9.2244 9.9039 10.3024 7.3492 7.7478 10.3024 9.9039 7.4379 3.732 3.732 2.3291 -0.3034 2.2752 2.4704 0.5014 1.4704 0.6657 -2.4704 -1.9704 -1.9704 -0.9704 -0.9704 -0.4704 0.6044 1.4704 1.9704 0.9704 2.4704 0.4704 1.9704 0.9704 -2.9454 -2.9454 -2.5531 -1.8628 -1.8628 -2.5531 -1.0781 -0.3878 2.0074 3.0904 -0.1496 0.6604 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 6 6 11 15 15 16 17 18 19 11 13 14 15 12 13 14 16 12 16 17 18 19 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 359 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0730100600000000000000000000000000162C0000030600000000000005801FC00001D0410000000080881560831D1B2C81008A4012462640083F0A9610A3949983C3064988820A2E0919184200868800248C8271000000000000000000001000000000000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-fluoro-<I>N</I>-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-fluoranyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-fluoro-1,3-benzothiazol-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H12FN3S2/c15-8-5-6-10-12(7-8)20-14(17-10)18-13-16-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,16,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IFYFISZNXVWBMG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.04566790 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H12FN3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC2=C(C1)N=C(S2)NC3=NC4=C(S3)C=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC2=C(C1)N=C(S2)NC3=NC4=C(S3)C=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 94.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.04566790 20 0 0 0 0 0 0 0 1 -1