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

C15H20F3N5O2S — CID 66571666

IUPAC1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(C)C)NC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H20F3N5O2S/c1-8(2)4-9-5-22(13(24)19-9)6-10-12(15(16,17)18)20-14-23(10)21-11(26-14)7-25-3/h8-9H,4-7H2,1-3H3,(H,19,24)
InChIKeyBDISLHGWRSCHSD-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.90
Rot. Bonds6

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

1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one (PubChem CID 66571666) has the molecular formula C15H20F3N5O2S and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one
PubChem CID66571666
Molecular FormulaC15H20F3N5O2S
Molecular Weight391.42 g/mol
Exact Mass391.13
IUPAC Name1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(C)C)NC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H20F3N5O2S/c1-8(2)4-9-5-22(13(24)19-9)6-10-12(15(16,17)18)20-14-23(10)21-11(26-14)7-25-3/h8-9H,4-7H2,1-3H3,(H,19,24)
InChIKeyBDISLHGWRSCHSD-UHFFFAOYSA-N
XLogP2.90
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.90
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-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one (CID 66571666) is 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-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-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one is COCc1nn2c(CN3CC(CC(C)C)NC3=O)c(C(F)(F)F)nc2s1.
What is the InChIKey of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is BDISLHGWRSCHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2S/c1-8(2)4-9-5-22(13(24)19-9)6-10-12(15(16,17)18)20-14-23(10)21-11(26-14)7-25-3/h8-9H,4-7H2,1-3H3,(H,19,24).
What are the key properties of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one?
1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 391.42 g/mol, XLogP of 2.90, 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-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 66571666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).