53347949 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 16 8 8 7 7 7 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 2 2 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 10 10 11 11 11 12 13 13 14 14 15 15 16 17 18 18 18 19 21 22 23 23 24 24 25 19 20 22 25 21 7 8 10 17 20 20 21 39 9 14 11 26 27 12 13 12 28 18 29 30 31 15 32 16 33 16 17 34 19 35 36 37 38 22 23 24 40 25 41 42 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 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 36 37 38 39 40 41 42 6.6595 2.9136 4.9839 11.2865 6.8286 5.165 10.3403 11.5971 10.3403 11.8701 12.5756 11.2865 9.4742 9.4742 8.6082 8.6082 7.7422 12.8863 7.6376 6.1595 4.5772 3.5827 3.0827 2.1045 2 10.9833 11.5766 12.4901 13.1895 12.5962 11.4791 9.4742 9.4742 8.0713 12.297 13.0789 13.4756 8.0984 4.9128 3.3348 1.6438 1.4631 2.1812 2.6583 2.9332 -0.826 0.572 1.2106 -0.5212 -1.7765 0.4788 -0.0212 -1.9827 0.7835 0.9788 -1.0212 0.4788 -0.5212 0.9788 -2.9332 1.9733 1.3152 2.0197 1.9151 1.0491 1.257 2.2516 -1.8638 -2.3961 -0.0212 -1.8954 -1.363 1.3728 1.5988 -1.6412 -0.8312 -3.1258 -3.5225 -2.7406 2.3882 0.6443 0.4827 0.8422 2.5616 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 5 5 7 7 9 9 10 13 14 15 17 22 23 24 19 20 22 25 7 10 17 20 9 14 12 13 12 15 16 16 19 23 24 25 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 478 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000400000000000000000000000000162C4800030000000000000005801FE00001E04100000000C0CE5DE06BFD5F3CC1448AC03BD77F40282F8A9752A3909D835FE6CD88E26F2E4BDBF873928ECC113D8E9A79897C20E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-propylindol-5-yl)thiazol-2-yl]furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-propyl-5-indolyl)-2-thiazolyl]-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(1-propylindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-propylindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-propylindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-propylindol-5-yl)thiazol-2-yl]-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H17N3O2S/c1-2-8-22-9-7-14-11-13(5-6-16(14)22)15-12-25-19(20-15)21-18(23)17-4-3-10-24-17/h3-7,9-12H,2,8H2,1H3,(H,20,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GAIRLQDYPNXPGG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.10414797 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H17N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN1C=CC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN1C=CC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 88.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.10414797 25 0 0 0 0 0 0 0 1 -1