1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione

C8H7F3N4O3S — CID 21318285

IUPAC1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)C1O
InChIInChI=1S/C8H7F3N4O3S/c1-2-14-3(16)4(17)15(7(14)18)6-13-12-5(19-6)8(9,10)11/h3,16H,2H2,1H3
InChIKeyIZPKPMVNFWPIOH-UHFFFAOYSA-N
MW296.23 g/mol
LogP0.66
Rot. Bonds2

About 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione

1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione (PubChem CID 21318285) has the molecular formula C8H7F3N4O3S and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
PubChem CID21318285
Molecular FormulaC8H7F3N4O3S
Molecular Weight296.23 g/mol
Exact Mass296.02
IUPAC Name1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)C1O
InChIInChI=1S/C8H7F3N4O3S/c1-2-14-3(16)4(17)15(7(14)18)6-13-12-5(19-6)8(9,10)11/h3,16H,2H2,1H3
InChIKeyIZPKPMVNFWPIOH-UHFFFAOYSA-N
XLogP0.66
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
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 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione (CID 21318285) is 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione is CCN1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)C1O.
What is the InChIKey of 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
The InChIKey is IZPKPMVNFWPIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O3S/c1-2-14-3(16)4(17)15(7(14)18)6-13-12-5(19-6)8(9,10)11/h3,16H,2H2,1H3.
What are the key properties of 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione has a molecular weight of 296.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 21318285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).