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

C8H9F3N4OS — CID 71364570

IUPAC1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCN1CCN(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C8H9F3N4OS/c1-2-14-3-4-15(7(14)16)6-13-12-5(17-6)8(9,10)11/h2-4H2,1H3
InChIKeyQIIZSSNIIGBWDX-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.82
Rot. Bonds2

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

1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 71364570) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID71364570
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC Name1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCN1CCN(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C8H9F3N4OS/c1-2-14-3-4-15(7(14)16)6-13-12-5(17-6)8(9,10)11/h2-4H2,1H3
InChIKeyQIIZSSNIIGBWDX-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405954
4-(Diethylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68121171
1-Ethyl-4-(propylamino)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68121194
4-(Tert-butylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68121413
4-(Hexylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68122038
4-Amino-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68122203
1-Methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68136739
1-Methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70637774
4-Butylimino-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70637968
1-Ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70638581
4-Hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70639089
1-Methyl-4-prop-1-ynylperoxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 88821785

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 71364570) is 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is CCN1CCN(c2nnc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is QIIZSSNIIGBWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c1-2-14-3-4-15(7(14)16)6-13-12-5(17-6)8(9,10)11/h2-4H2,1H3.
What are the key properties of 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 266.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 71364570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).