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

C9H9F3N4O3S — CID 70635009

IUPAC[1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate
SMILESCC(=O)OC1CN(C)C(=O)N1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H9F3N4O3S/c1-4(17)19-5-3-15(2)8(18)16(5)7-14-13-6(20-7)9(10,11)12/h5H,3H2,1-2H3
InChIKeyUUVSKMCYBOXGFH-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.32
Rot. Bonds2

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

[1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate (PubChem CID 70635009) has the molecular formula C9H9F3N4O3S and a molecular weight of 310.26 g/mol. Its IUPAC name is [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate.

Molecular Properties

Compound Name[1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate
PubChem CID70635009
Molecular FormulaC9H9F3N4O3S
Molecular Weight310.26 g/mol
Exact Mass310.03
IUPAC Name[1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate
SMILESCC(=O)OC1CN(C)C(=O)N1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H9F3N4O3S/c1-4(17)19-5-3-15(2)8(18)16(5)7-14-13-6(20-7)9(10,11)12/h5H,3H2,1-2H3
InChIKeyUUVSKMCYBOXGFH-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate?
The IUPAC name of [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate (CID 70635009) is [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate.
What is the SMILES notation for [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate?
The canonical SMILES for [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate is CC(=O)OC1CN(C)C(=O)N1c1nnc(C(F)(F)F)s1.
What is the InChIKey of [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate?
The InChIKey is UUVSKMCYBOXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3S/c1-4(17)19-5-3-15(2)8(18)16(5)7-14-13-6(20-7)9(10,11)12/h5H,3H2,1-2H3.
What are the key properties of [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate?
[1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate has a molecular weight of 310.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-oxo-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] acetate is sourced from PubChem (CID 70635009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).