6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C8H5N3S2 — CID 107646816

IUPAC6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1cc(-c2cn3ncsc3n2)cs1
InChIInChI=1S/C8H5N3S2/c1-2-12-4-6(1)7-3-11-8(10-7)13-5-9-11/h1-5H
InChIKeyADJPHAKVSLNLFM-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.52
Rot. Bonds1

About 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole

6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646816) has the molecular formula C8H5N3S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646816
Molecular FormulaC8H5N3S2
Molecular Weight207.28 g/mol
Exact Mass206.99
IUPAC Name6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1cc(-c2cn3ncsc3n2)cs1
InChIInChI=1S/C8H5N3S2/c1-2-12-4-6(1)7-3-11-8(10-7)13-5-9-11/h1-5H
InChIKeyADJPHAKVSLNLFM-UHFFFAOYSA-N
XLogP2.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646816) is 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole is c1cc(-c2cn3ncsc3n2)cs1.
What is the InChIKey of 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ADJPHAKVSLNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3S2/c1-2-12-4-6(1)7-3-11-8(10-7)13-5-9-11/h1-5H.
What are the key properties of 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 207.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).