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

C12H16F3N5O2S — CID 70638616

IUPAC1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCN1CC(N2CCOCC2)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C12H16F3N5O2S/c1-2-18-7-8(19-3-5-22-6-4-19)20(11(18)21)10-17-16-9(23-10)12(13,14)15/h8H,2-7H2,1H3
InChIKeyYJJGILNVSFNPHH-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.48
Rot. Bonds3

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

1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 70638616) has the molecular formula C12H16F3N5O2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID70638616
Molecular FormulaC12H16F3N5O2S
Molecular Weight351.35 g/mol
Exact Mass351.10
IUPAC Name1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCN1CC(N2CCOCC2)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C12H16F3N5O2S/c1-2-18-7-8(19-3-5-22-6-4-19)20(11(18)21)10-17-16-9(23-10)12(13,14)15/h8H,2-7H2,1H3
InChIKeyYJJGILNVSFNPHH-UHFFFAOYSA-N
XLogP1.48
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-Ethyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl]morpholine
CID 21453452
4-[1-Methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl]morpholine
CID 21453453
4-(2-Methoxyethylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68120700
4-(Diethylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68121171
4-(1-Methoxypropan-2-ylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68121245
[1-Methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate
CID 70635009
1-Methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70637774
1-Ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70638581
[1-Ethyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate
CID 70638620
[1-(Chloromethyl)-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate
CID 70638640
3-Methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one
CID 70638786
4-Hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70639089

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 70638616) is 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is CCN1CC(N2CCOCC2)N(c2nnc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is YJJGILNVSFNPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O2S/c1-2-18-7-8(19-3-5-22-6-4-19)20(11(18)21)10-17-16-9(23-10)12(13,14)15/h8H,2-7H2,1H3.
What are the key properties of 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 351.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 70638616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).