imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione

C21H43N5O5S — CID 160894292

IUPACimidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione
SMILESCC(C)C.CC(C)C.CC(C)C.O=C1CNC(=O)N1.O=C1CNC(=O)S1.O=C1NCCN1
InChIInChI=1S/3C4H10.C3H4N2O2.C3H6N2O.C3H3NO2S/c3*1-4(2)3;6-2-1-4-3(7)5-2;6-3-4-1-2-5-3;5-2-1-4-3(6)7-2/h3*4H,1-3H3;1H2,(H2,4,5,6,7);1-2H2,(H2,4,5,6);1H2,(H,4,6)
InChIKeySOQYWBHAUIUNAW-UHFFFAOYSA-N
MW477.67 g/mol
LogP3.08
Rot. Bonds

About imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione

imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione (PubChem CID 160894292) has the molecular formula C21H43N5O5S and a molecular weight of 477.67 g/mol. Its IUPAC name is imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione
PubChem CID160894292
Molecular FormulaC21H43N5O5S
Molecular Weight477.67 g/mol
Exact Mass477.30
IUPAC Nameimidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione
SMILESCC(C)C.CC(C)C.CC(C)C.O=C1CNC(=O)N1.O=C1CNC(=O)S1.O=C1NCCN1
InChIInChI=1S/3C4H10.C3H4N2O2.C3H6N2O.C3H3NO2S/c3*1-4(2)3;6-2-1-4-3(7)5-2;6-3-4-1-2-5-3;5-2-1-4-3(6)7-2/h3*4H,1-3H3;1H2,(H2,4,5,6,7);1-2H2,(H2,4,5,6);1H2,(H,4,6)
InChIKeySOQYWBHAUIUNAW-UHFFFAOYSA-N
XLogP3.08
TPSA145.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 53.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;imidazolidine-2,4-dione
CID 90911393
copper;imidazolidine-2,4-dione
CID 67120841
imidazolidine-2,4-dione;trihydrate
CID 70617866
2-methylpropane;5-sulfanylidene-1,3-thiazolidin-2-one
CID 157441103
acetamide;imidazolidine-2,4-dione
CID 159110028
imidazolidine-2,4-dione;pyrazolidin-3-one
CID 67936630
imidazolidin-2-one;methanol
CID 174820792
imidazolidin-2-one;hydrochloride
CID 18704729
imidazole-2,4-dione;imidazolidine-2,4-dione
CID 160657989
1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
CID 71073934
CID 67541617
CID 67541617
dodecanoic acid;imidazolidine-2,4-dione
CID 174508085

Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione?
The IUPAC name of imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione (CID 160894292) is imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione.
What is the SMILES notation for imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione?
The canonical SMILES for imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione is CC(C)C.CC(C)C.CC(C)C.O=C1CNC(=O)N1.O=C1CNC(=O)S1.O=C1NCCN1.
What is the InChIKey of imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione?
The InChIKey is SOQYWBHAUIUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10.C3H4N2O2.C3H6N2O.C3H3NO2S/c3*1-4(2)3;6-2-1-4-3(7)5-2;6-3-4-1-2-5-3;5-2-1-4-3(6)7-2/h3*4H,1-3H3;1H2,(H2,4,5,6,7);1-2H2,(H2,4,5,6);1H2,(H,4,6).
What are the key properties of imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione?
imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione has a molecular weight of 477.67 g/mol, XLogP of 3.08, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 160894292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).