3236177 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 4 4 5 5 5 6 6 7 7 7 8 9 9 9 12 12 13 15 16 17 17 18 11 15 10 14 8 18 10 11 12 11 13 14 16 22 16 10 13 14 15 19 20 21 17 18 23 24 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 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 8.859 7.0468 5.3147 2 7.9128 7.0468 4.4487 2.6691 6.1808 7.0468 7.9128 8.859 6.1808 5.3147 9.4426 3.5827 3.4782 2.5 9.0516 5.6438 10.0626 4.4487 3.9389 2.2478 -1.406 1.3988 1.3988 0.7352 -0.1012 -1.6012 -0.1012 -0.008 -0.1012 0.3988 -1.1012 0.2035 -1.1012 0.3988 -0.6012 0.3988 1.3933 1.6012 0.7928 -1.4112 -0.6012 -0.7212 1.8082 2.1676 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 5 6 6 8 9 9 12 16 17 11 15 8 18 10 11 12 11 13 16 10 13 15 17 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 499 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 000003718073B000400000000000000000000000000162000000200000000000000040018000001E04140000000C00E5D206B1B493D00008A9022B76F6008010014522002910213E6C5280048848480004008802170AC000C00000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-isoxazol-3-yl-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-isoxazolyl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(1,2-oxazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1,2-oxazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1,2-oxazol-3-yl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-isoxazol-3-yl-5-keto-thiazolo[3,2-a]pyrimidine-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H6N4O3S/c15-8(12-7-1-3-17-13-7)6-5-11-10-14(9(6)16)2-4-18-10/h1-5H,(H,12,13,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MOYQTOIZVLAVJN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.01606124 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H6N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CON=C1NC(=O)C2=CN=C3N(C2=O)C=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CON=C1NC(=O)C2=CN=C3N(C2=O)C=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.01606124 18 0 0 0 0 0 0 0 1 -1