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

C7H5F3N4O3S — CID 21318274

IUPAC5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)C1O
InChIInChI=1S/C7H5F3N4O3S/c1-13-2(15)3(16)14(6(13)17)5-12-11-4(18-5)7(8,9)10/h2,15H,1H3
InChIKeyYNJLLSSBVRGPSU-UHFFFAOYSA-N
MW282.20 g/mol
LogP0.27
Rot. Bonds1

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

5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione (PubChem CID 21318274) has the molecular formula C7H5F3N4O3S and a molecular weight of 282.20 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
PubChem CID21318274
Molecular FormulaC7H5F3N4O3S
Molecular Weight282.20 g/mol
Exact Mass282.00
IUPAC Name5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)C1O
InChIInChI=1S/C7H5F3N4O3S/c1-13-2(15)3(16)14(6(13)17)5-12-11-4(18-5)7(8,9)10/h2,15H,1H3
InChIKeyYNJLLSSBVRGPSU-UHFFFAOYSA-N
XLogP0.27
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 50.27
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 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione (CID 21318274) is 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione is CN1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)C1O.
What is the InChIKey of 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
The InChIKey is YNJLLSSBVRGPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O3S/c1-13-2(15)3(16)14(6(13)17)5-12-11-4(18-5)7(8,9)10/h2,15H,1H3.
What are the key properties of 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione?
5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione has a molecular weight of 282.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 21318274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).