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

C9H11F3N4O3S — CID 70618865

IUPAC4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCOCC1C(O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C9H11F3N4O3S/c1-15-4(3-19-2)5(17)16(8(15)18)7-14-13-6(20-7)9(10,11)12/h4-5,17H,3H2,1-2H3
InChIKeyNZIDGNWEAYPPKL-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.76
Rot. Bonds3

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

4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 70618865) has the molecular formula C9H11F3N4O3S and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID70618865
Molecular FormulaC9H11F3N4O3S
Molecular Weight312.27 g/mol
Exact Mass312.05
IUPAC Name4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCOCC1C(O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C9H11F3N4O3S/c1-15-4(3-19-2)5(17)16(8(15)18)7-14-13-6(20-7)9(10,11)12/h4-5,17H,3H2,1-2H3
InChIKeyNZIDGNWEAYPPKL-UHFFFAOYSA-N
XLogP0.76
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 70618865) is 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is COCC1C(O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is NZIDGNWEAYPPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O3S/c1-15-4(3-19-2)5(17)16(8(15)18)7-14-13-6(20-7)9(10,11)12/h4-5,17H,3H2,1-2H3.
What are the key properties of 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 312.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 70618865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).