N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

C102H85ClF10N20O17S7 — CID 158177907

About N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (PubChem CID 158177907) has the molecular formula C102H85ClF10N20O17S7 and a molecular weight of 2312.83 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
• PubChem CID: 158177907
• Molecular Formula: C102H85ClF10N20O17S7
• Molecular Weight: 2312.83 g/mol
• Exact Mass: 2310.40
• IUPAC Name: N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
• SMILES: COCCCOc1cccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)c1.Cc1ccc(-c2csc(NC(=O)Cc3c(C)oc4c3c(=O)n(C)c(=O)n4C)n2)cc1Cl.Cc1ccc(-c2csc(NC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1C(F)(F)F.Cc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1F.Cc1ccc(-c2csc(NC(=O)Cc3onc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1C(F)(F)F
• InChI: InChI=1S/C21H19ClN4O4S.C21H16F4N4O3S2.C21H20N2O3S.C20H15F4N5O4S.C19H15F2N5O3S2/c1-10-5-6-12(7-14(10)22)15-9-31-20(23-15)24-16(27)8-13-11(2)30-19-17(13)18(28)25(3)21(29)26(19)4;1-9-4-5-11(16(22)15(9)21(23,24)25)12-8-34-19(26-12)27-13(30)6-10-7-33-18-14(10)17(31)28(2)20(32)29(18)3;1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24;1-8-4-5-9(15(21)14(8)20(22,23)24)10-7-34-18(25-10)26-12(30)6-11-13-16(27-33-11)28(2)19(32)29(3)17(13)31;1-8-4-5-9(15(21)14(8)20)11-7-30-18(22-11)23-12(27)6-10-13-16(28)25(2)19(29)26(3)17(13)31-24-10/h5-7,9H,8H2,1-4H3,(H,23,24,27);4-5,7-8H,6H2,1-3H3,(H,26,27,30);2-4,6-9,12,18H,5,10-11H2,1H3,(H2,22,23,27);4-5,7H,6H2,1-3H3,(H,25,26,30);4-5,7H,6H2,1-3H3,(H,22,23,27)
• InChIKey: FYFLXNZVGMAFHE-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 455.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.83
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

The IUPAC name of N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (CID 158177907) is N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.

What is the SMILES notation for N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

The canonical SMILES for N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is COCCCOc1cccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)c1.Cc1ccc(-c2csc(NC(=O)Cc3c(C)oc4c3c(=O)n(C)c(=O)n4C)n2)cc1Cl.Cc1ccc(-c2csc(NC(=O)Cc3csc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1C(F)(F)F.Cc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1F.Cc1ccc(-c2csc(NC(=O)Cc3onc4c3c(=O)n(C)c(=O)n4C)n2)c(F)c1C(F)(F)F.

What is the InChIKey of N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

The InChIKey is FYFLXNZVGMAFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4S.C21H16F4N4O3S2.C21H20N2O3S.C20H15F4N5O4S.C19H15F2N5O3S2/c1-10-5-6-12(7-14(10)22)15-9-31-20(23-15)24-16(27)8-13-11(2)30-19-17(13)18(28)25(3)21(29)26(19)4;1-9-4-5-11(16(22)15(9)21(23,24)25)12-8-34-19(26-12)27-13(30)6-10-7-33-18-14(10)17(31)28(2)20(32)29(18)3;1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24;1-8-4-5-9(15(21)14(8)20(22,23)24)10-7-34-18(25-10)26-12(30)6-11-13-16(27-33-11)28(2)19(32)29(3)17(13)31;1-8-4-5-9(15(21)14(8)20)11-7-30-18(22-11)23-12(27)6-10-13-16(28)25(2)19(29)26(3)17(13)31-24-10/h5-7,9H,8H2,1-4H3,(H,23,24,27);4-5,7-8H,6H2,1-3H3,(H,26,27,30);2-4,6-9,12,18H,5,10-11H2,1H3,(H2,22,23,27);4-5,7H,6H2,1-3H3,(H,25,26,30);4-5,7H,6H2,1-3H3,(H,22,23,27).

What are the key properties of N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?

N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one has a molecular weight of 2312.83 g/mol, XLogP of 16.28, 22 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-(2,3-difluoro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide;2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)-N-[4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;4-[3-(3-methoxypropoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 158177907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).