2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

C103H110F4N20O7S4 — CID 159357401

IUPAC2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
SMILESC.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)n1.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(Nc6cccc(F)c6)n4)S(=O)CC5)CC3)o2)cc1.O=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4ccc5ccccc5c4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C27H25FN4OS.C26H25FN6O2S.C25H23FN4O2S.C22H25FN6O2S.3CH4/c28-22-6-3-7-23(17-22)29-26-25-24(12-15-34(25)33)30-27(31-26)32-13-10-19(11-14-32)21-9-8-18-4-1-2-5-20(18)16-21;1-16-5-7-17(8-6-16)24-31-32-25(35-24)18-9-12-33(13-10-18)26-29-21-11-14-36(34)22(21)23(30-26)28-20-4-2-3-19(27)15-20;26-18-5-3-6-19(15-18)27-24-23-20(10-13-33(23)31)28-25(29-24)30-11-8-16(9-12-30)22-14-17-4-1-2-7-21(17)32-22;1-13(2)19-26-21(31-28-19)14-6-9-29(10-7-14)22-25-17-8-11-32(30)18(17)20(27-22)24-16-5-3-4-15(23)12-16;;;/h1-9,16-17,19H,10-15H2,(H,29,30,31);2-8,15,18H,9-14H2,1H3,(H,28,29,30);1-7,14-16H,8-13H2,(H,27,28,29);3-5,12-14H,6-11H2,1-2H3,(H,24,25,27);3*1H4
InChIKeyLICGREACMTYBKB-UHFFFAOYSA-N
MW1944.41 g/mol
LogP21.30
Rot. Bonds18

About 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (PubChem CID 159357401) has the molecular formula C103H110F4N20O7S4 and a molecular weight of 1944.41 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
PubChem CID159357401
Molecular FormulaC103H110F4N20O7S4
Molecular Weight1944.41 g/mol
Exact Mass1942.77
IUPAC Name2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
SMILESC.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)n1.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(Nc6cccc(F)c6)n4)S(=O)CC5)CC3)o2)cc1.O=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4ccc5ccccc5c4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C27H25FN4OS.C26H25FN6O2S.C25H23FN4O2S.C22H25FN6O2S.3CH4/c28-22-6-3-7-23(17-22)29-26-25-24(12-15-34(25)33)30-27(31-26)32-13-10-19(11-14-32)21-9-8-18-4-1-2-5-20(18)16-21;1-16-5-7-17(8-6-16)24-31-32-25(35-24)18-9-12-33(13-10-18)26-29-21-11-14-36(34)22(21)23(30-26)28-20-4-2-3-19(27)15-20;26-18-5-3-6-19(15-18)27-24-23-20(10-13-33(23)31)28-25(29-24)30-11-8-16(9-12-30)22-14-17-4-1-2-7-21(17)32-22;1-13(2)19-26-21(31-28-19)14-6-9-29(10-7-14)22-25-17-8-11-32(30)18(17)20(27-22)24-16-5-3-4-15(23)12-16;;;/h1-9,16-17,19H,10-15H2,(H,29,30,31);2-8,15,18H,9-14H2,1H3,(H,28,29,30);1-7,14-16H,8-13H2,(H,27,28,29);3-5,12-14H,6-11H2,1-2H3,(H,24,25,27);3*1H4
InChIKeyLICGREACMTYBKB-UHFFFAOYSA-N
XLogP21.30
TPSA323.46 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.41
LogP ≤ 521.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (CID 159357401) is 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is C.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(Nc5cccc(F)c5)n3)S(=O)CC4)CC2)n1.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(Nc6cccc(F)c6)n4)S(=O)CC5)CC3)o2)cc1.O=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4ccc5ccccc5c4)CC3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
The InChIKey is LICGREACMTYBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4OS.C26H25FN6O2S.C25H23FN4O2S.C22H25FN6O2S.3CH4/c28-22-6-3-7-23(17-22)29-26-25-24(12-15-34(25)33)30-27(31-26)32-13-10-19(11-14-32)21-9-8-18-4-1-2-5-20(18)16-21;1-16-5-7-17(8-6-16)24-31-32-25(35-24)18-9-12-33(13-10-18)26-29-21-11-14-36(34)22(21)23(30-26)28-20-4-2-3-19(27)15-20;26-18-5-3-6-19(15-18)27-24-23-20(10-13-33(23)31)28-25(29-24)30-11-8-16(9-12-30)22-14-17-4-1-2-7-21(17)32-22;1-13(2)19-26-21(31-28-19)14-6-9-29(10-7-14)22-25-17-8-11-32(30)18(17)20(27-22)24-16-5-3-4-15(23)12-16;;;/h1-9,16-17,19H,10-15H2,(H,29,30,31);2-8,15,18H,9-14H2,1H3,(H,28,29,30);1-7,14-16H,8-13H2,(H,27,28,29);3-5,12-14H,6-11H2,1-2H3,(H,24,25,27);3*1H4.
What are the key properties of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane has a molecular weight of 1944.41 g/mol, XLogP of 21.30, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 159357401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).