6907374 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 16 9 7 7 7 7 6 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 3 3 4 4 5 6 6 7 7 9 10 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 19 20 20 21 22 8 9 14 5 7 8 8 11 12 21 22 9 10 23 24 25 26 14 15 13 27 19 20 16 17 28 18 29 18 30 31 21 32 22 33 34 35 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 5 -1 3 12 13 27 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 5.7816 2.27 4.9726 4.002 4.2294 2.2079 5.9507 4.868 6.4507 6.3575 4.002 4.4374 3.6942 3.136 4.868 3.136 4.868 4.002 2.7431 3.9021 2 3.159 7.0673 6.9239 6.6096 5.7911 5.027 5.405 2.5991 5.405 4.002 2.6142 4.4918 1.4103 3.2879 -1.1358 -2.2291 0.2654 -1.2291 0.9345 3.9201 0.4733 -0.7291 -0.3927 1.3869 -2.2291 1.9127 2.5818 -2.7291 -2.7291 -3.7291 -3.7291 -4.2291 2.2728 3.56 2.9419 4.2291 -0.4575 1.1347 1.9533 1.639 2.1043 -2.4191 -4.0391 -4.0391 -4.8491 1.6664 3.7516 2.7504 4.8356 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 6 6 7 11 11 13 13 14 15 16 17 19 20 8 9 7 8 21 22 9 14 15 19 20 16 17 18 18 21 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 471 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B81004000000000000000000000000001000000003C400000000000000001C000001D04080000000C08C55A0CBFC092081008A0023467640092902171022019D8203864980820E2C09991842008608800C8C8071000000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-4-pyridylmethyleneamino]thiazol-2-imine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-2-thiazolimine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>E</I>)-<I>N</I>-(2-fluorophenyl)-4-methyl-3-[(<I>E</I>)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-fluorophenyl)-[4-methyl-3-[(E)-4-pyridylmethyleneamino]-4-thiazolin-2-ylidene]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H13FN4S/c1-12-11-22-16(20-15-5-3-2-4-14(15)17)21(12)19-10-13-6-8-18-9-7-13/h2-11H,1H3/b19-10+,20-16? InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ORUDKPVGWSUJHT-GYQOZGINSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.08449577 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H13FN4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CSC(=NC2=CC=CC=C2F)N1N=CC3=CC=NC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CSC(=NC2=CC=CC=C2F)N1/N=C/C3=CC=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.08449577 22 0 0 0 1 1 0 0 1 -1