6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde

C6H3BrN2OS — CID 170914406

IUPAC6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1cn2cc(Br)nc2s1
InChIInChI=1S/C6H3BrN2OS/c7-5-2-9-1-4(3-10)11-6(9)8-5/h1-3H
InChIKeyRTFNQOZYCXABFK-UHFFFAOYSA-N
MW231.07 g/mol
LogP1.97
Rot. Bonds1

About 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde

6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde (PubChem CID 170914406) has the molecular formula C6H3BrN2OS and a molecular weight of 231.07 g/mol. Its IUPAC name is 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
PubChem CID170914406
Molecular FormulaC6H3BrN2OS
Molecular Weight231.07 g/mol
Exact Mass229.91
IUPAC Name6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1cn2cc(Br)nc2s1
InChIInChI=1S/C6H3BrN2OS/c7-5-2-9-1-4(3-10)11-6(9)8-5/h1-3H
InChIKeyRTFNQOZYCXABFK-UHFFFAOYSA-N
XLogP1.97
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.07
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde (CID 170914406) is 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde is O=Cc1cn2cc(Br)nc2s1.
What is the InChIKey of 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The InChIKey is RTFNQOZYCXABFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2OS/c7-5-2-9-1-4(3-10)11-6(9)8-5/h1-3H.
What are the key properties of 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde has a molecular weight of 231.07 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 170914406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).