2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide

C17H12BrFN4S2 — CID 162668182

IUPAC2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2cc(F)ccc21
InChIInChI=1S/C17H11FN4S2.BrH/c1-21-7-13(12-6-11(18)2-3-15(12)21)16-20-22-8-14(19-17(22)24-16)10-4-5-23-9-10;/h2-9H,1H3;1H
InChIKeyBGCPXVPSGKUNBW-UHFFFAOYSA-N
MW435.35 g/mol
LogP5.39
Rot. Bonds2

About 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide

2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (PubChem CID 162668182) has the molecular formula C17H12BrFN4S2 and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.

Molecular Properties

Compound Name2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
PubChem CID162668182
Molecular FormulaC17H12BrFN4S2
Molecular Weight435.35 g/mol
Exact Mass433.97
IUPAC Name2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2cc(F)ccc21
InChIInChI=1S/C17H11FN4S2.BrH/c1-21-7-13(12-6-11(18)2-3-15(12)21)16-20-22-8-14(19-17(22)24-16)10-4-5-23-9-10;/h2-9H,1H3;1H
InChIKeyBGCPXVPSGKUNBW-UHFFFAOYSA-N
XLogP5.39
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (CID 162668182) is 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.
What is the SMILES notation for 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The canonical SMILES for 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is Br.Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The InChIKey is BGCPXVPSGKUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4S2.BrH/c1-21-7-13(12-6-11(18)2-3-15(12)21)16-20-22-8-14(19-17(22)24-16)10-4-5-23-9-10;/h2-9H,1H3;1H.
What are the key properties of 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide has a molecular weight of 435.35 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is sourced from PubChem (CID 162668182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).