N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C20H20N4O4S — CID 24978904

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccccc1
InChIInChI=1S/C20H20N4O4S/c1-12(25)16-15(13-7-3-2-4-8-13)22-18(29-16)21-14(26)11-24-17(27)20(23-19(24)28)9-5-6-10-20/h2-4,7-8H,5-6,9-11H2,1H3,(H,23,28)(H,21,22,26)
InChIKeyKVTDTRWMDUQAEG-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.82
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 24978904) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID24978904
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccccc1
InChIInChI=1S/C20H20N4O4S/c1-12(25)16-15(13-7-3-2-4-8-13)22-18(29-16)21-14(26)11-24-17(27)20(23-19(24)28)9-5-6-10-20/h2-4,7-8H,5-6,9-11H2,1H3,(H,23,28)(H,21,22,26)
InChIKeyKVTDTRWMDUQAEG-UHFFFAOYSA-N
XLogP2.82
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 24978904) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is CC(=O)c1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is KVTDTRWMDUQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-12(25)16-15(13-7-3-2-4-8-13)22-18(29-16)21-14(26)11-24-17(27)20(23-19(24)28)9-5-6-10-20/h2-4,7-8H,5-6,9-11H2,1H3,(H,23,28)(H,21,22,26).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 412.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 24978904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).