51467559 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 16 8 8 7 7 7 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 2 3 3 4 4 4 5 5 6 6 6 7 7 7 7 8 8 9 11 11 12 12 12 13 13 14 14 15 16 17 19 19 19 20 21 21 22 22 23 17 18 10 20 23 9 10 26 16 18 18 19 35 8 10 12 24 9 11 14 13 25 27 28 29 15 16 15 30 31 17 32 20 33 34 21 22 36 23 37 38 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 7 8 12 10 24 2 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 4.3907 11.1013 2.1045 9.5176 5.8688 4.4839 9.5176 8.5714 8.5714 10.1013 7.7054 9.8283 6.8394 7.7054 6.8394 5.9734 5.0598 4.8907 3.4894 3.0827 3.5827 2.9136 2 9.0802 7.7054 9.7102 10.4176 10.0209 9.239 7.7054 6.3024 4.9309 2.8878 3.5327 4.8484 4.1993 3.0424 1.4631 -0.8382 -2.1746 2.1674 -2.9793 -0.1801 0.9414 -1.3698 -1.6746 -2.6746 -2.1746 -1.1746 -0.4193 -1.6746 -3.1746 -2.6746 -1.1746 -1.5813 0.0278 1.0459 1.9595 2.8255 3.5686 3.1619 -0.9305 -0.5546 -3.5686 -0.6119 0.17 -0.2267 -3.7946 -2.9846 -2.1878 0.8959 0.4274 1.443 2.8903 4.1751 3.4719 8 8 8 8 8 8 5 8 8 8 8 8 8 8 8 8 8 1 1 3 3 5 5 7 8 8 9 11 13 14 16 20 21 22 17 18 20 23 16 18 12 9 11 14 13 15 15 17 21 22 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 450 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B3000400000000000000000000000000162C4800030000000000000005801F000001E04100000000D0CE5DE06B3D592C81448AC03AD72F40082F8A9652A390988B5BE6CD88E26B2E4BDBB873928ECD413D8E9A79C99C28E88000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-5-[2-(2-furylmethylamino)thiazol-4-yl]-3-methyl-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-5-[2-(2-furanylmethylamino)-4-thiazolyl]-3-methyl-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>R</I>)-5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-5-[2-(2-furfurylamino)thiazol-4-yl]-3-methyl-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H15N3O2S/c1-10-13-7-11(4-5-14(13)19-16(10)21)15-9-23-17(20-15)18-8-12-3-2-6-22-12/h2-7,9-10H,8H2,1H3,(H,18,20)(H,19,21)/t10-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DOMRIKOOTLUDAE-SNVBAGLBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.08849790 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H15N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1C2=C(C=CC(=C2)C3=CSC(=N3)NCC4=CC=CO4)NC1=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[C@@H]1C2=C(C=CC(=C2)C3=CSC(=N3)NCC4=CC=CO4)NC1=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 95.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.08849790 23 1 1 0 0 0 0 0 1 -1