2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde

C5H4BrNOS — CID 87299647

IUPAC2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde
SMILESO=CCc1nc(Br)cs1
InChIInChI=1S/C5H4BrNOS/c6-4-3-9-5(7-4)1-2-8/h2-3H,1H2
InChIKeyNLZFJSVPOPUCAS-UHFFFAOYSA-N
MW206.06 g/mol
LogP1.65
Rot. Bonds2

About 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde

2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde (PubChem CID 87299647) has the molecular formula C5H4BrNOS and a molecular weight of 206.06 g/mol. Its IUPAC name is 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde
PubChem CID87299647
Molecular FormulaC5H4BrNOS
Molecular Weight206.06 g/mol
Exact Mass204.92
IUPAC Name2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde
SMILESO=CCc1nc(Br)cs1
InChIInChI=1S/C5H4BrNOS/c6-4-3-9-5(7-4)1-2-8/h2-3H,1H2
InChIKeyNLZFJSVPOPUCAS-UHFFFAOYSA-N
XLogP1.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Bromothiazole-2-carboxaldehyde
CID 2763187
2-(4-Bromo-1,3-thiazol-2-yl)ethan-1-ol
CID 83688029
Ethyl 2-(4-Bromothiazol-2-yl)acetate
CID 169746459
2-(4-Fluoro-1,3-thiazol-2-yl)acetaldehyde
CID 141536284
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butanal
CID 102346641
2-(4-Bromothiazol-2-yl)acetamide
CID 68522317
2-[4-(Bromomethyl)-1,3-thiazol-2-yl]acetaldehyde
CID 87995434
2-(4-Bromo-1,3-thiazol-2-yl)propanal
CID 102213742
1-(4-Bromo-1,3-thiazol-2-yl)propane-1,2-dione
CID 118459109
4-Bromo-1,3-thiazole-2-carbaldehyde;ethene
CID 143781529
4-Bromo-2-(2-methoxyethyl)-1,3-thiazole
CID 150319905
2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide
CID 170238077

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde (CID 87299647) is 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde is O=CCc1nc(Br)cs1.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is NLZFJSVPOPUCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS/c6-4-3-9-5(7-4)1-2-8/h2-3H,1H2.
What are the key properties of 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde?
2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 206.06 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 87299647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).