7064095 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 16 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 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 9 9 10 10 11 12 13 14 16 16 16 13 15 7 9 14 8 14 21 12 15 15 26 27 8 10 17 18 11 12 11 19 20 13 22 16 23 24 25 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 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 9.2665 6.1974 2.5352 3.6942 8.7665 10.5266 5.3884 4.4374 7.0064 5.6974 6.6974 7.9575 8.2665 2.7431 9.5755 2 4.7284 3.9488 5.333 7.0618 3.8231 7.9021 1.5851 1.5392 2.4149 10.9873 10.6555 1.1133 0.441 0.7803 -0.5069 -0.4255 -0.1468 -0.1468 0.1623 -0.1468 -1.0978 -1.0978 0.1623 1.1133 -0.1979 0.1623 -0.867 0.7097 0.544 -1.5994 -1.5994 -1.1133 1.6149 -0.4062 -1.2818 -1.3277 0.2681 -0.7532 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 7 9 10 12 13 15 7 9 12 15 10 11 11 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 264 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C073300040000000000000000000000000016240000000000000000000000001E000001E0410000000080CC5D604B39592C81448AC01A572740482F8A9672A390888B5BE2CD88E26B2A4B53B873928E4D61398A9A798D9031000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[5-(2-aminothiazol-4-yl)-2-furyl]methyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[5-(2-amino-4-thiazolyl)-2-furanyl]methyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[5-(2-azanyl-1,3-thiazol-4-yl)furan-2-yl]methyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[5-(2-aminothiazol-4-yl)-2-furyl]methyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H11N3O2S/c1-6(14)12-4-7-2-3-9(15-7)8-5-16-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HMOORGLQDZENJJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.05719778 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H11N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 109 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.05719778 16 0 0 0 0 0 0 0 1 -1