7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C98H103N27O21S — CID 158465450

About 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 158465450) has the molecular formula C98H103N27O21S and a molecular weight of 2027.14 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

• Compound Name: 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
• PubChem CID: 158465450
• Molecular Formula: C98H103N27O21S
• Molecular Weight: 2027.14 g/mol
• Exact Mass: 2025.75
• IUPAC Name: 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
• SMILES: CC(=O)Nc1ccc(N2CCC3(C2)NC(=O)NC3=O)cc1.CC(=O)Nc1cccc(N2CCC3(C2)NC(=O)NC3=O)c1.COC(=O)c1ccc(N2CCC3(C2)NC(=O)NC3=O)nc1.O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCCc4ccccc43)C2)N1.O=C1NC(=O)C2(CCN(C(=O)c3ccccc3)C2)N1.O=C1NC(=O)C2(CCN(C(=O)c3cnn4ccccc34)C2)N1.O=C1NC(=O)C2(CCN(c3nc4ccccc4s3)C2)N1
• InChI: InChI=1S/C17H19N3O3.C14H13N5O3.2C14H16N4O3.C13H14N4O4.C13H12N4O2S.C13H13N3O3/c21-14(13-7-3-5-11-4-1-2-6-12(11)13)20-9-8-17(10-20)15(22)18-16(23)19-17;20-11(9-7-15-19-5-2-1-3-10(9)19)18-6-4-14(8-18)12(21)16-13(22)17-14;1-9(19)15-10-2-4-11(5-3-10)18-7-6-14(8-18)12(20)16-13(21)17-14;1-9(19)15-10-3-2-4-11(7-10)18-6-5-14(8-18)12(20)16-13(21)17-14;1-21-10(18)8-2-3-9(14-6-8)17-5-4-13(7-17)11(19)15-12(20)16-13;18-10-13(16-11(19)15-10)5-6-17(7-13)12-14-8-3-1-2-4-9(8)20-12;17-10(9-4-2-1-3-5-9)16-7-6-13(8-16)11(18)14-12(19)15-13/h1-2,4,6,13H,3,5,7-10H2,(H2,18,19,22,23);1-3,5,7H,4,6,8H2,(H2,16,17,21,22);2-5H,6-8H2,1H3,(H,15,19)(H2,16,17,20,21);2-4,7H,5-6,8H2,1H3,(H,15,19)(H2,16,17,20,21);2-3,6H,4-5,7H2,1H3,(H2,15,16,19,20);1-4H,5-7H2,(H2,15,16,18,19);1-5H,6-8H2,(H2,14,15,18,19)/t13-,17?;;;;;;/m0....../s1
• InChIKey: HFRSPVQPVFIMNE-LKXOBEFZSA-N
• XLogP: 2.39
• TPSA: 608.87 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2027.14
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

The IUPAC name of 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 158465450) is 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

What is the SMILES notation for 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

The canonical SMILES for 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(=O)Nc1ccc(N2CCC3(C2)NC(=O)NC3=O)cc1.CC(=O)Nc1cccc(N2CCC3(C2)NC(=O)NC3=O)c1.COC(=O)c1ccc(N2CCC3(C2)NC(=O)NC3=O)nc1.O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCCc4ccccc43)C2)N1.O=C1NC(=O)C2(CCN(C(=O)c3ccccc3)C2)N1.O=C1NC(=O)C2(CCN(C(=O)c3cnn4ccccc34)C2)N1.O=C1NC(=O)C2(CCN(c3nc4ccccc4s3)C2)N1.

What is the InChIKey of 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

The InChIKey is HFRSPVQPVFIMNE-LKXOBEFZSA-N. The full InChI is InChI=1S/C17H19N3O3.C14H13N5O3.2C14H16N4O3.C13H14N4O4.C13H12N4O2S.C13H13N3O3/c21-14(13-7-3-5-11-4-1-2-6-12(11)13)20-9-8-17(10-20)15(22)18-16(23)19-17;20-11(9-7-15-19-5-2-1-3-10(9)19)18-6-4-14(8-18)12(21)16-13(22)17-14;1-9(19)15-10-2-4-11(5-3-10)18-7-6-14(8-18)12(20)16-13(21)17-14;1-9(19)15-10-3-2-4-11(7-10)18-6-5-14(8-18)12(20)16-13(21)17-14;1-21-10(18)8-2-3-9(14-6-8)17-5-4-13(7-17)11(19)15-12(20)16-13;18-10-13(16-11(19)15-10)5-6-17(7-13)12-14-8-3-1-2-4-9(8)20-12;17-10(9-4-2-1-3-5-9)16-7-6-13(8-16)11(18)14-12(19)15-13/h1-2,4,6,13H,3,5,7-10H2,(H2,18,19,22,23);1-3,5,7H,4,6,8H2,(H2,16,17,21,22);2-5H,6-8H2,1H3,(H,15,19)(H2,16,17,20,21);2-4,7H,5-6,8H2,1H3,(H,15,19)(H2,16,17,20,21);2-3,6H,4-5,7H2,1H3,(H2,15,16,19,20);1-4H,5-7H2,(H2,15,16,18,19);1-5H,6-8H2,(H2,14,15,18,19)/t13-,17?;;;;;;/m0....../s1.

What are the key properties of 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 2027.14 g/mol, XLogP of 2.39, 10 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;N-[3-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)phenyl]acetamide;methyl 6-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)pyridine-3-carboxylate;7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 158465450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).