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

C17H13BrN4S2 — CID 162662109

IUPAC2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2ccccc21
InChIInChI=1S/C17H12N4S2.BrH/c1-20-8-13(12-4-2-3-5-15(12)20)16-19-21-9-14(18-17(21)23-16)11-6-7-22-10-11;/h2-10H,1H3;1H
InChIKeyZHQWVPYEEUVHGC-UHFFFAOYSA-N
MW417.36 g/mol
LogP5.26
Rot. Bonds2

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

2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (PubChem CID 162662109) has the molecular formula C17H13BrN4S2 and a molecular weight of 417.36 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
PubChem CID162662109
Molecular FormulaC17H13BrN4S2
Molecular Weight417.36 g/mol
Exact Mass415.98
IUPAC Name2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2ccccc21
InChIInChI=1S/C17H12N4S2.BrH/c1-20-8-13(12-4-2-3-5-15(12)20)16-19-21-9-14(18-17(21)23-16)11-6-7-22-10-11;/h2-10H,1H3;1H
InChIKeyZHQWVPYEEUVHGC-UHFFFAOYSA-N
XLogP5.26
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.36
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The IUPAC name of 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (CID 162662109) is 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The canonical SMILES for 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is Br.Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The InChIKey is ZHQWVPYEEUVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S2.BrH/c1-20-8-13(12-4-2-3-5-15(12)20)16-19-21-9-14(18-17(21)23-16)11-6-7-22-10-11;/h2-10H,1H3;1H.
What are the key properties of 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide has a molecular weight of 417.36 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is sourced from PubChem (CID 162662109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).