17398325 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 8 8 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 4 4 4 5 5 6 6 6 7 7 7 8 9 9 9 10 10 11 11 13 13 14 15 17 17 17 18 19 20 20 21 21 22 16 18 12 19 22 8 12 26 15 16 16 17 32 8 9 10 13 12 23 24 11 25 14 15 14 27 28 18 19 29 30 31 20 21 33 22 34 35 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 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 34 35 6.6595 12.8701 2.9136 11.2865 6.8286 5.165 10.3403 10.3403 11.2865 9.4742 8.6082 11.8701 9.4742 8.6082 7.7422 6.1595 4.5772 7.6376 3.5827 3.0827 2.1045 2 11.8239 11.0354 9.4742 11.4791 9.4742 8.0713 5.1344 4.4063 8.0984 4.9128 3.3348 1.6438 1.4631 1.5597 -0.6427 2.0368 -1.4475 -0.0495 0.5892 -0.1427 -1.1427 0.162 0.3573 -0.1427 -0.6427 -1.6427 -1.1427 0.3573 0.6937 1.3982 1.3518 1.2936 0.4276 0.6355 1.63 0.4712 0.7289 0.9773 -2.0368 -2.2627 -1.4527 1.67 1.9942 1.7666 0.0228 -0.1388 0.2207 1.94 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 5 5 7 7 8 10 11 13 15 19 20 21 16 18 19 22 15 16 8 10 13 11 14 14 18 20 21 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 422 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 00000371C07B3000400000000000000000000000000162C4800030000000000000005801F000001E04100000000C0CE5DE06B1D592C81448AC03AD72F40082F8A9652A390988B5BE6CD88E26B2E4BDBB873928ECD413D8E9A79C99C28E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-(2-furylmethylamino)thiazol-4-yl]indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-(2-furanylmethylamino)-4-thiazolyl]-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-(2-furfurylamino)thiazol-4-yl]oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H13N3O2S/c20-15-7-11-6-10(3-4-13(11)18-15)14-9-22-16(19-14)17-8-12-2-1-5-21-12/h1-6,9H,7-8H2,(H,17,19)(H,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ILECHVNCUOKLBE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.07284784 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H13N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2=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 C1C2=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 2021.05.07 311.07284784 22 0 0 0 0 0 0 0 1 -1