N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium

C75H106F4N16O20S4U3 — CID 159008079

About N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium

N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium (PubChem CID 159008079) has the molecular formula C75H106F4N16O20S4U3 and a molecular weight of 2470.11 g/mol. Its IUPAC name is N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium.

Molecular Properties

• Compound Name: N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium
• PubChem CID: 159008079
• Molecular Formula: C75H106F4N16O20S4U3
• Molecular Weight: 2470.11 g/mol
• Exact Mass: 2468.81
• IUPAC Name: N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium
• SMILES: C.C.CN1C(NC(=O)OC(C)(C)C)=NC2(c3cc(N)ccc3F)CCCC2S1(=O)=O.CN1C(NC(=O)OC(C)(C)C)=NC2(c3cc([N+](=O)[O-])ccc3F)CCCC2S1(=O)=O.COCC(=O)Nc1ccc(F)c(C23CCCC2S(=O)(=O)N(C)C(N)=N3)c1.COCC(=O)Nc1ccc(F)c(C23CCCC2S(=O)(=O)N(C)C(NC(=O)OC(C)(C)C)=N3)c1.[U].[U].[U]
• InChI: InChI=1S/C21H29FN4O6S.C18H23FN4O6S.C18H25FN4O4S.C16H21FN4O4S.2CH4.3U/c1-20(2,3)32-19(28)24-18-25-21(10-6-7-16(21)33(29,30)26(18)4)14-11-13(8-9-15(14)22)23-17(27)12-31-5;1-17(2,3)29-16(24)20-15-21-18(9-5-6-14(18)30(27,28)22(15)4)12-10-11(23(25)26)7-8-13(12)19;1-17(2,3)27-16(24)21-15-22-18(12-10-11(20)7-8-13(12)19)9-5-6-14(18)28(25,26)23(15)4;1-21-15(18)20-16(7-3-4-13(16)26(21,23)24)11-8-10(5-6-12(11)17)19-14(22)9-25-2;;;;;/h8-9,11,16H,6-7,10,12H2,1-5H3,(H,23,27)(H,24,25,28);7-8,10,14H,5-6,9H2,1-4H3,(H,20,21,24);7-8,10,14H,5-6,9,20H2,1-4H3,(H,21,22,24);5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,20)(H,19,22);2*1H4
• InChIKey: JSEBVHFYRORGBE-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 485.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.11
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium?

The IUPAC name of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium (CID 159008079) is N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium.

What is the SMILES notation for N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium?

The canonical SMILES for N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium is C.C.CN1C(NC(=O)OC(C)(C)C)=NC2(c3cc(N)ccc3F)CCCC2S1(=O)=O.CN1C(NC(=O)OC(C)(C)C)=NC2(c3cc([N+](=O)[O-])ccc3F)CCCC2S1(=O)=O.COCC(=O)Nc1ccc(F)c(C23CCCC2S(=O)(=O)N(C)C(N)=N3)c1.COCC(=O)Nc1ccc(F)c(C23CCCC2S(=O)(=O)N(C)C(NC(=O)OC(C)(C)C)=N3)c1.[U].[U].[U].

What is the InChIKey of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium?

The InChIKey is JSEBVHFYRORGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O6S.C18H23FN4O6S.C18H25FN4O4S.C16H21FN4O4S.2CH4.3U/c1-20(2,3)32-19(28)24-18-25-21(10-6-7-16(21)33(29,30)26(18)4)14-11-13(8-9-15(14)22)23-17(27)12-31-5;1-17(2,3)29-16(24)20-15-21-18(9-5-6-14(18)30(27,28)22(15)4)12-10-11(23(25)26)7-8-13(12)19;1-17(2,3)27-16(24)21-15-22-18(12-10-11(20)7-8-13(12)19)9-5-6-14(18)28(25,26)23(15)4;1-21-15(18)20-16(7-3-4-13(16)26(21,23)24)11-8-10(5-6-12(11)17)19-14(22)9-25-2;;;;;/h8-9,11,16H,6-7,10,12H2,1-5H3,(H,23,27)(H,24,25,28);7-8,10,14H,5-6,9H2,1-4H3,(H,20,21,24);7-8,10,14H,5-6,9,20H2,1-4H3,(H,21,22,24);5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,20)(H,19,22);2*1H4;;;.

What are the key properties of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium?

N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium has a molecular weight of 2470.11 g/mol, XLogP of 9.28, 11 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-2-methoxyacetamide;tert-butyl N-[4a-(5-amino-2-fluorophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-[2-fluoro-5-[(2-methoxyacetyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;tert-butyl N-[4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-yl]carbamate;methane;uranium is sourced from PubChem (CID 159008079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).