2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C19H28N4O3S — CID 37018592

IUPAC2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(C)s1)C2=O
InChIInChI=1S/C19H28N4O3S/c1-5-18(3,4)13-6-8-19(9-7-13)15(25)23(17(26)22-19)11-14(24)21-16-20-10-12(2)27-16/h10,13H,5-9,11H2,1-4H3,(H,22,26)(H,20,21,24)
InChIKeyVRUIXIBUTOVUEH-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.31
Rot. Bonds5

About 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 37018592) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID37018592
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(C)s1)C2=O
InChIInChI=1S/C19H28N4O3S/c1-5-18(3,4)13-6-8-19(9-7-13)15(25)23(17(26)22-19)11-14(24)21-16-20-10-12(2)27-16/h10,13H,5-9,11H2,1-4H3,(H,22,26)(H,20,21,24)
InChIKeyVRUIXIBUTOVUEH-UHFFFAOYSA-N
XLogP3.31
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 37018592) is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(C)s1)C2=O.
What is the InChIKey of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VRUIXIBUTOVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-5-18(3,4)13-6-8-19(9-7-13)15(25)23(17(26)22-19)11-14(24)21-16-20-10-12(2)27-16/h10,13H,5-9,11H2,1-4H3,(H,22,26)(H,20,21,24).
What are the key properties of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 392.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 37018592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).