2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate

C96H106N22O14S2 — CID 159454089

About 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate

2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate (PubChem CID 159454089) has the molecular formula C96H106N22O14S2 and a molecular weight of 1856.18 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate
• PubChem CID: 159454089
• Molecular Formula: C96H106N22O14S2
• Molecular Weight: 1856.18 g/mol
• Exact Mass: 1854.77
• IUPAC Name: 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate
• SMILES: C=C1CCC2(CCN(c3ccc(C(=O)OC)cn3)C2)C(=O)N1.C=C1CCC2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4c(C(=O)OC)cccc4[nH]3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4ccccc4s3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4ncccc4s3)C2)C(=O)N1
• InChI: InChI=1S/C18H20N4O3.C16H17N5O3.C16H19N3O3.C16H17N3OS.C15H16N4OS.C15H17N3O3/c1-11-6-7-18(16(24)19-11)8-9-22(10-18)17-20-13-5-3-4-12(14(13)21-17)15(23)25-2;1-10-4-5-16(14(22)17-10)6-7-20(9-16)15-18-12-3-2-11(21(23)24)8-13(12)19-15;1-11-5-6-16(15(21)18-11)7-8-19(10-16)13-4-3-12(9-17-13)14(20)22-2;1-11-6-7-16(14(20)17-11)8-9-19(10-16)15-18-12-4-2-3-5-13(12)21-15;1-10-4-5-15(13(20)17-10)6-8-19(9-15)14-18-12-11(21-14)3-2-7-16-12;1-11-6-7-15(14(19)16-11)8-9-17(10-15)12-2-4-13(5-3-12)18(20)21/h3-5H,1,6-10H2,2H3,(H,19,24)(H,20,21);2-3,8H,1,4-7,9H2,(H,17,22)(H,18,19);3-4,9H,1,5-8,10H2,2H3,(H,18,21);2-5H,1,6-10H2,(H,17,20);2-3,7H,1,4-6,8-9H2,(H,17,20);2-5H,1,6-10H2,(H,16,19)
• InChIKey: LTTAKYKBLACVRN-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 441.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1856.18
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', '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 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate?

The IUPAC name of 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate (CID 159454089) is 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate.

What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate?

The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate is C=C1CCC2(CCN(c3ccc(C(=O)OC)cn3)C2)C(=O)N1.C=C1CCC2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4c(C(=O)OC)cccc4[nH]3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4ccccc4s3)C2)C(=O)N1.C=C1CCC2(CCN(c3nc4ncccc4s3)C2)C(=O)N1.

What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate?

The InChIKey is LTTAKYKBLACVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.C16H17N5O3.C16H19N3O3.C16H17N3OS.C15H16N4OS.C15H17N3O3/c1-11-6-7-18(16(24)19-11)8-9-22(10-18)17-20-13-5-3-4-12(14(13)21-17)15(23)25-2;1-10-4-5-16(14(22)17-10)6-7-20(9-16)15-18-12-3-2-11(21(23)24)8-13(12)19-15;1-11-5-6-16(15(21)18-11)7-8-19(10-16)13-4-3-12(9-17-13)14(20)22-2;1-11-6-7-16(14(20)17-11)8-9-19(10-16)15-18-12-4-2-3-5-13(12)21-15;1-10-4-5-15(13(20)17-10)6-8-19(9-15)14-18-12-11(21-14)3-2-7-16-12;1-11-6-7-15(14(19)16-11)8-9-17(10-15)12-2-4-13(5-3-12)18(20)21/h3-5H,1,6-10H2,2H3,(H,19,24)(H,20,21);2-3,8H,1,4-7,9H2,(H,17,22)(H,18,19);3-4,9H,1,5-8,10H2,2H3,(H,18,21);2-5H,1,6-10H2,(H,17,20);2-3,7H,1,4-6,8-9H2,(H,17,20);2-5H,1,6-10H2,(H,16,19).

What are the key properties of 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate?

2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate has a molecular weight of 1856.18 g/mol, XLogP of 12.99, 10 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzothiazol-2-yl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(6-nitro-1H-benzimidazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one;methyl 2-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-1H-benzimidazole-4-carboxylate;methyl 6-(8-methylidene-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 159454089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).