[2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C8H8F3N3OS — CID 157229489

IUPAC[2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILES[2H]C([2H])(C)c1nn2c(CO)c(C(F)(F)F)nc2s1
InChIInChI=1S/C8H8F3N3OS/c1-2-5-13-14-4(3-15)6(8(9,10)11)12-7(14)16-5/h15H,2-3H2,1H3/i2D2
InChIKeyBGDQTEMLOKAZDO-CBTSVUPCSA-N
MW253.25 g/mol
LogP1.86
Rot. Bonds2

About [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 157229489) has the molecular formula C8H8F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID157229489
Molecular FormulaC8H8F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name[2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILES[2H]C([2H])(C)c1nn2c(CO)c(C(F)(F)F)nc2s1
InChIInChI=1S/C8H8F3N3OS/c1-2-5-13-14-4(3-15)6(8(9,10)11)12-7(14)16-5/h15H,2-3H2,1H3/i2D2
InChIKeyBGDQTEMLOKAZDO-CBTSVUPCSA-N
XLogP1.86
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 157229489) is [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is [2H]C([2H])(C)c1nn2c(CO)c(C(F)(F)F)nc2s1.
What is the InChIKey of [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is BGDQTEMLOKAZDO-CBTSVUPCSA-N. The full InChI is InChI=1S/C8H8F3N3OS/c1-2-5-13-14-4(3-15)6(8(9,10)11)12-7(14)16-5/h15H,2-3H2,1H3/i2D2.
What are the key properties of [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 253.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dideuterioethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 157229489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).