[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C14H14N4O2S — CID 82219873

IUPAC[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESOCc1c(-c2ccccn2)nc2sc(C3CCCO3)nn12
InChIInChI=1S/C14H14N4O2S/c19-8-10-12(9-4-1-2-6-15-9)16-14-18(10)17-13(21-14)11-5-3-7-20-11/h1-2,4,6,11,19H,3,5,7-8H2
InChIKeySZMMONIQXVDVIF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.20
Rot. Bonds3

About [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219873) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219873
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESOCc1c(-c2ccccn2)nc2sc(C3CCCO3)nn12
InChIInChI=1S/C14H14N4O2S/c19-8-10-12(9-4-1-2-6-15-9)16-14-18(10)17-13(21-14)11-5-3-7-20-11/h1-2,4,6,11,19H,3,5,7-8H2
InChIKeySZMMONIQXVDVIF-UHFFFAOYSA-N
XLogP2.20
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219873) is [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is OCc1c(-c2ccccn2)nc2sc(C3CCCO3)nn12.
What is the InChIKey of [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is SZMMONIQXVDVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-8-10-12(9-4-1-2-6-15-9)16-14-18(10)17-13(21-14)11-5-3-7-20-11/h1-2,4,6,11,19H,3,5,7-8H2.
What are the key properties of [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 302.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).