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

C20H24N6O3S — CID 156576383

IUPACN-[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
SMILESCC(=O)Nc1ncc(CN2CCC3(CC2)NC(=O)N(Cc2cccnc2C)C3=O)s1
InChIInChI=1S/C20H24N6O3S/c1-13-15(4-3-7-21-13)11-26-17(28)20(24-19(26)29)5-8-25(9-6-20)12-16-10-22-18(30-16)23-14(2)27/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3,(H,24,29)(H,22,23,27)
InChIKeyPXOJEYVRXUNGRY-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.89
Rot. Bonds5

About 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

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 (PubChem CID 156576383) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID156576383
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-[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
SMILESCC(=O)Nc1ncc(CN2CCC3(CC2)NC(=O)N(Cc2cccnc2C)C3=O)s1
InChIInChI=1S/C20H24N6O3S/c1-13-15(4-3-7-21-13)11-26-17(28)20(24-19(26)29)5-8-25(9-6-20)12-16-10-22-18(30-16)23-14(2)27/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3,(H,24,29)(H,22,23,27)
InChIKeyPXOJEYVRXUNGRY-UHFFFAOYSA-N
XLogP1.89
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ncc(CN2CCC3(CC2)NC(=O)N(Cc2cccnc2C)C3=O)s1.
What is the InChIKey of 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?
The InChIKey is PXOJEYVRXUNGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-13-15(4-3-7-21-13)11-26-17(28)20(24-19(26)29)5-8-25(9-6-20)12-16-10-22-18(30-16)23-14(2)27/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3,(H,24,29)(H,22,23,27).
What are the key properties of 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?
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 has a molecular weight of 428.52 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156576383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).