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

C11H14F3N5O2S — CID 70638786

IUPAC3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one
SMILESCN1CN(c2nnc(C(F)(F)F)s2)C(N2CCOCC2)C1=O
InChIInChI=1S/C11H14F3N5O2S/c1-17-6-19(10-16-15-9(22-10)11(12,13)14)7(8(17)20)18-2-4-21-5-3-18/h7H,2-6H2,1H3
InChIKeyMDLDKOUAIRCLJB-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.45
Rot. Bonds2

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

3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one (PubChem CID 70638786) has the molecular formula C11H14F3N5O2S and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one
PubChem CID70638786
Molecular FormulaC11H14F3N5O2S
Molecular Weight337.33 g/mol
Exact Mass337.08
IUPAC Name3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one
SMILESCN1CN(c2nnc(C(F)(F)F)s2)C(N2CCOCC2)C1=O
InChIInChI=1S/C11H14F3N5O2S/c1-17-6-19(10-16-15-9(22-10)11(12,13)14)7(8(17)20)18-2-4-21-5-3-18/h7H,2-6H2,1H3
InChIKeyMDLDKOUAIRCLJB-UHFFFAOYSA-N
XLogP0.45
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one?
The IUPAC name of 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one (CID 70638786) is 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one.
What is the SMILES notation for 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one?
The canonical SMILES for 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one is CN1CN(c2nnc(C(F)(F)F)s2)C(N2CCOCC2)C1=O.
What is the InChIKey of 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one?
The InChIKey is MDLDKOUAIRCLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2S/c1-17-6-19(10-16-15-9(22-10)11(12,13)14)7(8(17)20)18-2-4-21-5-3-18/h7H,2-6H2,1H3.
What are the key properties of 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one?
3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one has a molecular weight of 337.33 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-morpholin-4-yl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-one is sourced from PubChem (CID 70638786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).