47205103 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 16 8 8 7 7 7 7 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 2 2 3 4 4 4 5 5 6 6 6 7 8 8 8 8 9 9 9 10 12 13 14 15 16 16 17 17 18 19 19 20 13 14 15 20 11 9 11 25 10 13 7 12 28 18 10 11 21 22 12 23 24 14 16 15 26 17 18 27 19 29 30 20 31 32 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 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 9.2665 10.8356 6.4712 5.3122 8.7665 3.309 2.309 7.0064 4.5691 7.9575 6.2633 3.618 9.5755 8.2665 10.5266 2.809 11.3356 2 12.1446 11.8356 6.5179 7.2975 5.0577 4.278 5.1833 7.9021 2.809 3.6734 11.3356 1.4103 12.7343 12.2 0.912 -1.2992 1.2992 0.012 -0.6269 -0.5789 -0.5789 -0.3481 0.6811 -0.0391 0.321 0.3721 -0.0391 0.912 -0.3481 0.9599 0.2397 0.3721 -0.3481 -1.2992 -0.7298 -0.8955 1.0628 1.2286 -0.5944 1.4136 1.5799 -1.0805 0.8597 0.5637 -0.1565 -1.8008 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 6 7 10 12 15 16 17 19 13 14 15 20 10 13 7 12 18 14 16 17 18 19 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 344 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C073B000400000000000000000000000000162C4800000000000000000000001F800001E0418000000080CE5D606BC8592EB1448AE01BD77D40492FCA067AA3818B9B5BE6CD80E66BAA4F5FB979D28E4DE11B8E9869811020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-furyl)thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-furanyl)-4-thiazolyl]-N-(1H-pyrazol-5-ylmethyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-<I>N</I>-(1<I>H</I>-pyrazol-5-ylmethyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-furyl)thiazol-4-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H12N4O2S/c18-12(14-7-9-3-4-15-17-9)6-10-8-20-13(16-10)11-2-1-5-19-11/h1-5,8H,6-7H2,(H,14,18)(H,15,17) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LEOMPCCDMIDMRI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.06809681 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H12N4O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=COC(=C1)C2=NC(=CS2)CC(=O)NCC3=CC=NN3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=COC(=C1)C2=NC(=CS2)CC(=O)NCC3=CC=NN3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 112 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.06809681 20 0 0 0 0 0 0 0 1 -1