N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
C88H116N24O10S4 — CID 158905853
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)c2)C(=O)N3)s1.CC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1.CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)c2)C(=O)N3)s1.CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1
InChIInChI=1S/2C22H28N6O3S.2C22H30N6O2S/c2*1-13-9-17(10-14(2)24-13)12-28-19(30)22(26-21(28)31)5-7-27(8-6-22)15(3)18-11-23-20(32-18)25-16(4)29;2*1-14-9-18(10-15(2)24-14)12-28-13-22(26-21(28)30)5-7-27(8-6-22)16(3)19-11-23-20(31-19)25-17(4)29/h2*9-11,15H,5-8,12H2,1-4H3,(H,26,31)(H,23,25,29);2*9-11,16H,5-8,12-13H2,1-4H3,(H,26,30)(H,23,25,29)/t2*15-;2*16-/m1010/s1
InChIKeyJGANGCIEIQDYQY-VUUOHXQHSA-N
MW1798.32 g/mol
LogP11.99
Rot. Bonds20
About N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 158905853) has the molecular formula C88H116N24O10S4 and a molecular weight of 1798.32 g/mol. Its IUPAC name is N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.
Molecular Properties
| Compound Name | N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide |
|---|---|
| PubChem CID | 158905853 |
| Molecular Formula | C88H116N24O10S4 |
| Molecular Weight | 1798.32 g/mol |
| Exact Mass | 1796.82 |
| IUPAC Name | N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide |
| SMILES | CC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)c2)C(=O)N3)s1.CC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1.CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)c2)C(=O)N3)s1.CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1 |
| InChI | InChI=1S/2C22H28N6O3S.2C22H30N6O2S/c2*1-13-9-17(10-14(2)24-13)12-28-19(30)22(26-21(28)31)5-7-27(8-6-22)15(3)18-11-23-20(32-18)25-16(4)29;2*1-14-9-18(10-15(2)24-14)12-28-13-22(26-21(28)30)5-7-27(8-6-22)16(3)19-11-23-20(31-19)25-17(4)29/h2*9-11,15H,5-8,12H2,1-4H3,(H,26,31)(H,23,25,29);2*9-11,16H,5-8,12-13H2,1-4H3,(H,26,30)(H,23,25,29)/t2*15-;2*16-/m1010/s1 |
| InChIKey | JGANGCIEIQDYQY-VUUOHXQHSA-N |
| XLogP | 11.99 |
| TPSA | 395.98 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 126 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1798.32 |
| LogP ≤ 5 | 11.99 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 158905853) is N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)c2)C(=O)N3)s1.CC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1.CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)CN(Cc2cc(C)nc(C)c2)C(=O)N3)s1.CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1.
What is the InChIKey of N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JGANGCIEIQDYQY-VUUOHXQHSA-N. The full InChI is InChI=1S/2C22H28N6O3S.2C22H30N6O2S/c2*1-13-9-17(10-14(2)24-13)12-28-19(30)22(26-21(28)31)5-7-27(8-6-22)15(3)18-11-23-20(32-18)25-16(4)29;2*1-14-9-18(10-15(2)24-14)12-28-13-22(26-21(28)30)5-7-27(8-6-22)16(3)19-11-23-20(31-19)25-17(4)29/h2*9-11,15H,5-8,12H2,1-4H3,(H,26,31)(H,23,25,29);2*9-11,16H,5-8,12-13H2,1-4H3,(H,26,30)(H,23,25,29)/t2*15-;2*16-/m1010/s1.
What are the key properties of N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1798.32 g/mol, XLogP of 11.99, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158905853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158905853 — identifiers, structure, computed properties (public domain)
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