2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C16H9FN4S2 — CID 162395415

IUPAC2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc2[nH]cc(-c3nn4cc(-c5ccsc5)nc4s3)c2c1
InChIInChI=1S/C16H9FN4S2/c17-10-1-2-13-11(5-10)12(6-18-13)15-20-21-7-14(19-16(21)23-15)9-3-4-22-8-9/h1-8,18H
InChIKeyKUUPUMRISNFRNM-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.81
Rot. Bonds2

About 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 162395415) has the molecular formula C16H9FN4S2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID162395415
Molecular FormulaC16H9FN4S2
Molecular Weight340.41 g/mol
Exact Mass340.03
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc2[nH]cc(-c3nn4cc(-c5ccsc5)nc4s3)c2c1
InChIInChI=1S/C16H9FN4S2/c17-10-1-2-13-11(5-10)12(6-18-13)15-20-21-7-14(19-16(21)23-15)9-3-4-22-8-9/h1-8,18H
InChIKeyKUUPUMRISNFRNM-UHFFFAOYSA-N
XLogP4.81
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 162395415) is 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole is Fc1ccc2[nH]cc(-c3nn4cc(-c5ccsc5)nc4s3)c2c1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KUUPUMRISNFRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4S2/c17-10-1-2-13-11(5-10)12(6-18-13)15-20-21-7-14(19-16(21)23-15)9-3-4-22-8-9/h1-8,18H.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 340.41 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 162395415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).