2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde

C5H4FNOS — CID 175429249

IUPAC2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(F)c1nccs1
InChIInChI=1S/C5H4FNOS/c6-4(3-8)5-7-1-2-9-5/h1-4H
InChIKeyFPBUAZGUCPYKOA-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.35
Rot. Bonds2

About 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde

2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde (PubChem CID 175429249) has the molecular formula C5H4FNOS and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde
PubChem CID175429249
Molecular FormulaC5H4FNOS
Molecular Weight145.16 g/mol
Exact Mass145.00
IUPAC Name2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(F)c1nccs1
InChIInChI=1S/C5H4FNOS/c6-4(3-8)5-7-1-2-9-5/h1-4H
InChIKeyFPBUAZGUCPYKOA-UHFFFAOYSA-N
XLogP1.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.35
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 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde (CID 175429249) is 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde is O=CC(F)c1nccs1.
What is the InChIKey of 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is FPBUAZGUCPYKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNOS/c6-4(3-8)5-7-1-2-9-5/h1-4H.
What are the key properties of 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde?
2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 175429249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).