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

C12H13N3O2S — CID 82219843

IUPAC[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCC(C)c1nn2c(CO)c(-c3ccco3)nc2s1
InChIInChI=1S/C12H13N3O2S/c1-7(2)11-14-15-8(6-16)10(13-12(15)18-11)9-4-3-5-17-9/h3-5,7,16H,6H2,1-2H3
InChIKeyLGBNLOKYDAKXCD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.67
Rot. Bonds3

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

[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219843) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219843
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCC(C)c1nn2c(CO)c(-c3ccco3)nc2s1
InChIInChI=1S/C12H13N3O2S/c1-7(2)11-14-15-8(6-16)10(13-12(15)18-11)9-4-3-5-17-9/h3-5,7,16H,6H2,1-2H3
InChIKeyLGBNLOKYDAKXCD-UHFFFAOYSA-N
XLogP2.67
TPSA63.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219553
[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961506
[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219849
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
[8-bromo-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 93206664
[6-fluoro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060718
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
3-(furan-2-yl)-6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493842
[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961465
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327
[2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961529
2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596

Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219843) is [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is CC(C)c1nn2c(CO)c(-c3ccco3)nc2s1.
What is the InChIKey of [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is LGBNLOKYDAKXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7(2)11-14-15-8(6-16)10(13-12(15)18-11)9-4-3-5-17-9/h3-5,7,16H,6H2,1-2H3.
What are the key properties of [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 263.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).