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

C16H11BrN4S2 — CID 162658499

IUPAC2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.c1ccc2c(-c3nn4cc(-c5ccsc5)nc4s3)c[nH]c2c1
InChIInChI=1S/C16H10N4S2.BrH/c1-2-4-13-11(3-1)12(7-17-13)15-19-20-8-14(18-16(20)22-15)10-5-6-21-9-10;/h1-9,17H;1H
InChIKeyDUFUTFIOVMXBAB-UHFFFAOYSA-N
MW403.33 g/mol
LogP5.25
Rot. Bonds2

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

2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (PubChem CID 162658499) has the molecular formula C16H11BrN4S2 and a molecular weight of 403.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
PubChem CID162658499
Molecular FormulaC16H11BrN4S2
Molecular Weight403.33 g/mol
Exact Mass401.96
IUPAC Name2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.c1ccc2c(-c3nn4cc(-c5ccsc5)nc4s3)c[nH]c2c1
InChIInChI=1S/C16H10N4S2.BrH/c1-2-4-13-11(3-1)12(7-17-13)15-19-20-8-14(18-16(20)22-15)10-5-6-21-9-10;/h1-9,17H;1H
InChIKeyDUFUTFIOVMXBAB-UHFFFAOYSA-N
XLogP5.25
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.33
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The IUPAC name of 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (CID 162658499) is 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.
What is the SMILES notation for 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The canonical SMILES for 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is Br.c1ccc2c(-c3nn4cc(-c5ccsc5)nc4s3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The InChIKey is DUFUTFIOVMXBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S2.BrH/c1-2-4-13-11(3-1)12(7-17-13)15-19-20-8-14(18-16(20)22-15)10-5-6-21-9-10;/h1-9,17H;1H.
What are the key properties of 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide has a molecular weight of 403.33 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is sourced from PubChem (CID 162658499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).