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

C8H9F3N4O2S — CID 70638581

IUPAC1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C8H9F3N4O2S/c1-2-14-3-4(16)15(7(14)17)6-13-12-5(18-6)8(9,10)11/h4,16H,2-3H2,1H3
InChIKeyKNXRFLCUYZFBDC-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.14
Rot. Bonds2

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

1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 70638581) has the molecular formula C8H9F3N4O2S and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID70638581
Molecular FormulaC8H9F3N4O2S
Molecular Weight282.25 g/mol
Exact Mass282.04
IUPAC Name1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C8H9F3N4O2S/c1-2-14-3-4(16)15(7(14)17)6-13-12-5(18-6)8(9,10)11/h4,16H,2-3H2,1H3
InChIKeyKNXRFLCUYZFBDC-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 70638581) is 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is CCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is KNXRFLCUYZFBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S/c1-2-14-3-4(16)15(7(14)17)6-13-12-5(18-6)8(9,10)11/h4,16H,2-3H2,1H3.
What are the key properties of 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 282.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 70638581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).