4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C15H20N4O3S — CID 18284579

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C15H20N4O3S/c1-10-9-16-13(23-10)17-11(20)5-4-8-19-12(21)15(18-14(19)22)6-2-3-7-15/h9H,2-8H2,1H3,(H,18,22)(H,16,17,20)
InChIKeyCRHYINRYIGPKDL-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.03
Rot. Bonds5

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 18284579) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID18284579
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C15H20N4O3S/c1-10-9-16-13(23-10)17-11(20)5-4-8-19-12(21)15(18-14(19)22)6-2-3-7-15/h9H,2-8H2,1H3,(H,18,22)(H,16,17,20)
InChIKeyCRHYINRYIGPKDL-UHFFFAOYSA-N
XLogP2.03
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.03
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 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 18284579) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is CRHYINRYIGPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-9-16-13(23-10)17-11(20)5-4-8-19-12(21)15(18-14(19)22)6-2-3-7-15/h9H,2-8H2,1H3,(H,18,22)(H,16,17,20).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 336.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 18284579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).