56444288 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 40 41 42 43 44 45 46 47 48 49 50 51 52 16 9 9 8 8 8 7 7 7 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 2 3 4 5 5 6 7 7 7 8 8 8 9 9 10 10 10 10 11 11 11 12 12 12 13 13 13 15 15 16 16 17 17 18 18 19 19 20 22 22 22 23 25 26 26 27 28 28 29 29 30 31 24 27 31 31 14 25 31 21 14 15 41 21 24 46 23 24 11 12 13 14 32 33 34 35 36 37 38 39 40 16 18 17 42 19 21 20 43 20 44 45 23 25 26 27 28 29 47 48 30 49 30 50 51 52 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 2 2 1 1 1 1 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 6.4617 4.3511 2.7688 10.8964 4.1701 6.5662 9.1643 7.4323 5.6527 10.0303 10.0303 11.0303 9.0303 10.0303 9.1643 8.2983 8.2983 10.0303 9.1643 10.0303 7.4323 3.989 4.9836 6.5662 3.5823 3.4013 5.4836 2.5878 2.4067 2 3.7634 10.6503 10.0303 9.4103 11.0303 11.6503 11.0303 9.0303 8.4103 9.0303 8.6274 7.7614 10.5673 9.1643 10.5673 7.9692 3.6534 5.2314 2.3356 2.0423 1.3834 3.3989 -3.8933 0.3145 -0.39 1.6012 -1.4081 -0.8988 1.6012 -2.3988 -2.492 3.1012 4.1012 3.1012 3.1012 2.1012 0.6012 0.1012 -0.8988 0.1012 -1.3988 -0.8988 -1.3988 -3.1307 -3.2352 -2.8988 -2.2171 -3.9397 -4.1012 -2.1126 -3.8352 -2.9216 -0.4946 4.1012 4.7212 4.1012 2.4812 3.1012 3.7212 3.7212 3.1012 2.4812 1.9112 0.4112 0.4112 -2.0188 -1.2088 -2.7088 -4.5061 -4.6676 -1.5462 -4.3367 -2.8568 -0.9961 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 9 9 15 15 16 17 18 19 22 22 23 25 26 28 29 24 27 23 24 16 18 17 19 20 20 25 26 27 28 29 30 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 632 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B318040000000000000000000000000016000000030600000000000000001D000001F04100000000E0C85DE12B3D792C81408AC032572740082F8A9652A39098835366CD88C26B2E4BD9B8431286ED513C8E9A79CC8A08E00000040000800000000008000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-3-(2,2-dimethylpropanoylamino)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-2-thiazolyl]-3-[(2,2-dimethyl-1-oxopropyl)amino]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-3-(2,2-dimethylpropanoylamino)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-3-(2,2-dimethylpropanoylamino)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-[bis(fluoranyl)methoxy]phenyl]-1,3-thiazol-2-yl]-3-(2,2-dimethylpropanoylamino)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-3-(pivaloylamino)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H21F2N3O3S/c1-22(2,3)19(29)25-14-8-6-7-13(11-14)18(28)27-21-26-16(12-31-21)15-9-4-5-10-17(15)30-20(23)24/h4-12,20H,1-3H3,(H,25,29)(H,26,27,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NOWCEOZONWIJLO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 445.12716904 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H21F2N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 445.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3OC(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3OC(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 109 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 445.12716904 31 0 0 0 0 0 0 0 1 -1