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

C22H28N6O3S — CID 146415285

IUPACN-[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
SMILESCC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1
InChIInChI=1S/C22H28N6O3S/c1-13-9-17(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/h9-11,15H,5-8,12H2,1-4H3,(H,26,31)(H,23,25,29)/t15-/m0/s1
InChIKeyFQHVGPWJZJLYQN-HNNXBMFYSA-N
MW456.57 g/mol
LogP2.76
Rot. Bonds5

About 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-[(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 (PubChem CID 146415285) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID146415285
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC NameN-[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
SMILESCC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1
InChIInChI=1S/C22H28N6O3S/c1-13-9-17(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/h9-11,15H,5-8,12H2,1-4H3,(H,26,31)(H,23,25,29)/t15-/m0/s1
InChIKeyFQHVGPWJZJLYQN-HNNXBMFYSA-N
XLogP2.76
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 146415358
N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 156576448
N-[5-[1-[3-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 146415306
N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 146415363
N-[5-[[3-[(2-methyl-3-pyridinyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 156576383
N-[5-[1-(2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-1,3-thiazol-2-yl]acetamide
CID 146412637
N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
8-[1-(1,3-benzothiazol-5-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146415251
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103918
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135119
N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135240
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 146415285) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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-[(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?
The InChIKey is FQHVGPWJZJLYQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-13-9-17(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/h9-11,15H,5-8,12H2,1-4H3,(H,26,31)(H,23,25,29)/t15-/m0/s1.
What are the key properties of 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-[(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 has a molecular weight of 456.57 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146415285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).