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

C11H14F3N5O2S — CID 70637774

IUPAC1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCN1CC(N2CCOCC2)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C11H14F3N5O2S/c1-17-6-7(18-2-4-21-5-3-18)19(10(17)20)9-16-15-8(22-9)11(12,13)14/h7H,2-6H2,1H3
InChIKeyWXYVBFJBHHONRO-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.09
Rot. Bonds2

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

1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 70637774) has the molecular formula C11H14F3N5O2S and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID70637774
Molecular FormulaC11H14F3N5O2S
Molecular Weight337.33 g/mol
Exact Mass337.08
IUPAC Name1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCN1CC(N2CCOCC2)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C11H14F3N5O2S/c1-17-6-7(18-2-4-21-5-3-18)19(10(17)20)9-16-15-8(22-9)11(12,13)14/h7H,2-6H2,1H3
InChIKeyWXYVBFJBHHONRO-UHFFFAOYSA-N
XLogP1.09
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 70637774) is 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is CN1CC(N2CCOCC2)N(c2nnc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is WXYVBFJBHHONRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2S/c1-17-6-7(18-2-4-21-5-3-18)19(10(17)20)9-16-15-8(22-9)11(12,13)14/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 337.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-morpholin-4-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 70637774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).