7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C11H14N4O4S — CID 78996091

IUPAC7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)CN3CSCC3=O)C2)N1
InChIInChI=1S/C11H14N4O4S/c16-7(3-15-6-20-4-8(15)17)14-2-1-11(5-14)9(18)12-10(19)13-11/h1-6H2,(H2,12,13,18,19)
InChIKeyVRKPOMZTXQMMLS-UHFFFAOYSA-N
MW298.32 g/mol
LogP-1.67
Rot. Bonds2

About 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996091) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996091
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)CN3CSCC3=O)C2)N1
InChIInChI=1S/C11H14N4O4S/c16-7(3-15-6-20-4-8(15)17)14-2-1-11(5-14)9(18)12-10(19)13-11/h1-6H2,(H2,12,13,18,19)
InChIKeyVRKPOMZTXQMMLS-UHFFFAOYSA-N
XLogP-1.67
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-1.67
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 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996091) is 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)CN3CSCC3=O)C2)N1.
What is the InChIKey of 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is VRKPOMZTXQMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c16-7(3-15-6-20-4-8(15)17)14-2-1-11(5-14)9(18)12-10(19)13-11/h1-6H2,(H2,12,13,18,19).
What are the key properties of 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 298.32 g/mol, XLogP of -1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).