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

C13H13N3O3S — CID 82219849

IUPAC[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESOCc1c(-c2ccco2)nc2sc(C3CCCO3)nn12
InChIInChI=1S/C13H13N3O3S/c17-7-8-11(9-3-1-5-18-9)14-13-16(8)15-12(20-13)10-4-2-6-19-10/h1,3,5,10,17H,2,4,6-7H2
InChIKeyLIKACJVMYGOHJI-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.39
Rot. Bonds3

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

[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219849) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219849
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESOCc1c(-c2ccco2)nc2sc(C3CCCO3)nn12
InChIInChI=1S/C13H13N3O3S/c17-7-8-11(9-3-1-5-18-9)14-13-16(8)15-12(20-13)10-4-2-6-19-10/h1,3,5,10,17H,2,4,6-7H2
InChIKeyLIKACJVMYGOHJI-UHFFFAOYSA-N
XLogP2.39
TPSA72.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219873
[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219843
6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95559024
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896
2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine
CID 82062761
(2-cyclohexyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
CID 82219776
6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209571
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 23144496
[6-fluoro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060718
3-(furan-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110682397
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592

Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219849) is [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is OCc1c(-c2ccco2)nc2sc(C3CCCO3)nn12.
What is the InChIKey of [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is LIKACJVMYGOHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-7-8-11(9-3-1-5-18-9)14-13-16(8)15-12(20-13)10-4-2-6-19-10/h1,3,5,10,17H,2,4,6-7H2.
What are the key properties of [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 291.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).