[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol

C15H10BrN3OS2 — CID 67123000

IUPAC[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol
SMILESOCc1nc2sc(-c3cccs3)nn2c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrN3OS2/c16-10-5-3-9(4-6-10)13-11(8-20)17-15-19(13)18-14(22-15)12-2-1-7-21-12/h1-7,20H,8H2
InChIKeyFEJAMEBEBGHHMY-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.44
Rot. Bonds3

About [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol

[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol (PubChem CID 67123000) has the molecular formula C15H10BrN3OS2 and a molecular weight of 392.30 g/mol. Its IUPAC name is [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol
PubChem CID67123000
Molecular FormulaC15H10BrN3OS2
Molecular Weight392.30 g/mol
Exact Mass390.94
IUPAC Name[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol
SMILESOCc1nc2sc(-c3cccs3)nn2c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrN3OS2/c16-10-5-3-9(4-6-10)13-11(8-20)17-15-19(13)18-14(22-15)12-2-1-7-21-12/h1-7,20H,8H2
InChIKeyFEJAMEBEBGHHMY-UHFFFAOYSA-N
XLogP4.44
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol?
The IUPAC name of [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol (CID 67123000) is [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol.
What is the SMILES notation for [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol?
The canonical SMILES for [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol is OCc1nc2sc(-c3cccs3)nn2c1-c1ccc(Br)cc1.
What is the InChIKey of [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol?
The InChIKey is FEJAMEBEBGHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS2/c16-10-5-3-9(4-6-10)13-11(8-20)17-15-19(13)18-14(22-15)12-2-1-7-21-12/h1-7,20H,8H2.
What are the key properties of [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol?
[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol has a molecular weight of 392.30 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol is sourced from PubChem (CID 67123000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).