5-bromo-1,3-thiazole-2-carbaldehyde;methane

C5H6BrNOS — CID 144718111

IUPAC5-bromo-1,3-thiazole-2-carbaldehyde;methane
SMILESC.O=Cc1ncc(Br)s1
InChIInChI=1S/C4H2BrNOS.CH4/c5-3-1-6-4(2-7)8-3;/h1-2H;1H4
InChIKeyUGZGMWGIDUMLIR-UHFFFAOYSA-N
MW208.08 g/mol
LogP2.35
Rot. Bonds1

About 5-bromo-1,3-thiazole-2-carbaldehyde;methane

5-bromo-1,3-thiazole-2-carbaldehyde;methane (PubChem CID 144718111) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is 5-bromo-1,3-thiazole-2-carbaldehyde;methane.

Molecular Properties

Compound Name5-bromo-1,3-thiazole-2-carbaldehyde;methane
PubChem CID144718111
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name5-bromo-1,3-thiazole-2-carbaldehyde;methane
SMILESC.O=Cc1ncc(Br)s1
InChIInChI=1S/C4H2BrNOS.CH4/c5-3-1-6-4(2-7)8-3;/h1-2H;1H4
InChIKeyUGZGMWGIDUMLIR-UHFFFAOYSA-N
XLogP2.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 52.35
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 5-bromo-1,3-thiazole-2-carbaldehyde;methane?
The IUPAC name of 5-bromo-1,3-thiazole-2-carbaldehyde;methane (CID 144718111) is 5-bromo-1,3-thiazole-2-carbaldehyde;methane.
What is the SMILES notation for 5-bromo-1,3-thiazole-2-carbaldehyde;methane?
The canonical SMILES for 5-bromo-1,3-thiazole-2-carbaldehyde;methane is C.O=Cc1ncc(Br)s1.
What is the InChIKey of 5-bromo-1,3-thiazole-2-carbaldehyde;methane?
The InChIKey is UGZGMWGIDUMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrNOS.CH4/c5-3-1-6-4(2-7)8-3;/h1-2H;1H4.
What are the key properties of 5-bromo-1,3-thiazole-2-carbaldehyde;methane?
5-bromo-1,3-thiazole-2-carbaldehyde;methane has a molecular weight of 208.08 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazole-2-carbaldehyde;methane is sourced from PubChem (CID 144718111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).