6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C15H8BrN3OS2 — CID 15956034

IUPAC6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Br)cc2)nc2sc(-c3cccs3)nn12
InChIInChI=1S/C15H8BrN3OS2/c16-10-5-3-9(4-6-10)13-11(8-20)19-15(17-13)22-14(18-19)12-2-1-7-21-12/h1-8H
InChIKeyBCDOCPQRQBTQHM-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.76
Rot. Bonds3

About 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 15956034) has the molecular formula C15H8BrN3OS2 and a molecular weight of 390.29 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID15956034
Molecular FormulaC15H8BrN3OS2
Molecular Weight390.29 g/mol
Exact Mass388.93
IUPAC Name6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Br)cc2)nc2sc(-c3cccs3)nn12
InChIInChI=1S/C15H8BrN3OS2/c16-10-5-3-9(4-6-10)13-11(8-20)19-15(17-13)22-14(18-19)12-2-1-7-21-12/h1-8H
InChIKeyBCDOCPQRQBTQHM-UHFFFAOYSA-N
XLogP4.76
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 15956034) is 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is O=Cc1c(-c2ccc(Br)cc2)nc2sc(-c3cccs3)nn12.
What is the InChIKey of 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is BCDOCPQRQBTQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3OS2/c16-10-5-3-9(4-6-10)13-11(8-20)19-15(17-13)22-14(18-19)12-2-1-7-21-12/h1-8H.
What are the key properties of 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 390.29 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 15956034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).