6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

C11H7N3O2S — CID 107646923

IUPAC6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1nn2cc(-c3ccc4c(c3)OCO4)nc2s1
InChIInChI=1S/C11H7N3O2S/c1-2-9-10(16-6-15-9)3-7(1)8-4-14-11(13-8)17-5-12-14/h1-5H,6H2
InChIKeyXBQUXKSOUBUFIN-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.19
Rot. Bonds1

About 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646923) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646923
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1nn2cc(-c3ccc4c(c3)OCO4)nc2s1
InChIInChI=1S/C11H7N3O2S/c1-2-9-10(16-6-15-9)3-7(1)8-4-14-11(13-8)17-5-12-14/h1-5H,6H2
InChIKeyXBQUXKSOUBUFIN-UHFFFAOYSA-N
XLogP2.19
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 15749997
6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646816
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine
CID 11771382
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 18127706
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
CID 60528777
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174003
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
CID 83910432
5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
CID 21066363
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 107646923) is 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is c1nn2cc(-c3ccc4c(c3)OCO4)nc2s1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XBQUXKSOUBUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c1-2-9-10(16-6-15-9)3-7(1)8-4-14-11(13-8)17-5-12-14/h1-5H,6H2.
What are the key properties of 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 245.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).