2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde

C4HBrFNOS — CID 171545631

IUPAC2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Br)nc1F
InChIInChI=1S/C4HBrFNOS/c5-4-7-3(6)2(1-8)9-4/h1H
InChIKeyGSRODLWDBIIFGS-UHFFFAOYSA-N
MW210.03 g/mol
LogP1.86
Rot. Bonds1

About 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde

2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde (PubChem CID 171545631) has the molecular formula C4HBrFNOS and a molecular weight of 210.03 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde
PubChem CID171545631
Molecular FormulaC4HBrFNOS
Molecular Weight210.03 g/mol
Exact Mass208.89
IUPAC Name2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Br)nc1F
InChIInChI=1S/C4HBrFNOS/c5-4-7-3(6)2(1-8)9-4/h1H
InChIKeyGSRODLWDBIIFGS-UHFFFAOYSA-N
XLogP1.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde (CID 171545631) is 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Br)nc1F.
What is the InChIKey of 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde?
The InChIKey is GSRODLWDBIIFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrFNOS/c5-4-7-3(6)2(1-8)9-4/h1H.
What are the key properties of 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde?
2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde has a molecular weight of 210.03 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 171545631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).