1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one

C14H18F3N5O2S — CID 66571667

IUPAC1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one
SMILESCCCC1CN(Cc2c(C(F)(F)F)nc3sc(COC)nn23)C(=O)N1
InChIInChI=1S/C14H18F3N5O2S/c1-3-4-8-5-21(12(23)18-8)6-9-11(14(15,16)17)19-13-22(9)20-10(25-13)7-24-2/h8H,3-7H2,1-2H3,(H,18,23)
InChIKeyFVYWOBBLRWOEKA-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.65
Rot. Bonds6

About 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one

1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one (PubChem CID 66571667) has the molecular formula C14H18F3N5O2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one
PubChem CID66571667
Molecular FormulaC14H18F3N5O2S
Molecular Weight377.39 g/mol
Exact Mass377.11
IUPAC Name1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one
SMILESCCCC1CN(Cc2c(C(F)(F)F)nc3sc(COC)nn23)C(=O)N1
InChIInChI=1S/C14H18F3N5O2S/c1-3-4-8-5-21(12(23)18-8)6-9-11(14(15,16)17)19-13-22(9)20-10(25-13)7-24-2/h8H,3-7H2,1-2H3,(H,18,23)
InChIKeyFVYWOBBLRWOEKA-UHFFFAOYSA-N
XLogP2.65
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
The IUPAC name of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one (CID 66571667) is 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one.
What is the SMILES notation for 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
The canonical SMILES for 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one is CCCC1CN(Cc2c(C(F)(F)F)nc3sc(COC)nn23)C(=O)N1.
What is the InChIKey of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
The InChIKey is FVYWOBBLRWOEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2S/c1-3-4-8-5-21(12(23)18-8)6-9-11(14(15,16)17)19-13-22(9)20-10(25-13)7-24-2/h8H,3-7H2,1-2H3,(H,18,23).
What are the key properties of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one has a molecular weight of 377.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one is sourced from PubChem (CID 66571667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).