2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde

C5H4FNOS — CID 84762876

IUPAC2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CF)n1
InChIInChI=1S/C5H4FNOS/c6-1-5-7-4(2-8)3-9-5/h2-3H,1H2
InChIKeyRSSMKFUCWAEGDL-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.43
Rot. Bonds2

About 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde

2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 84762876) has the molecular formula C5H4FNOS and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID84762876
Molecular FormulaC5H4FNOS
Molecular Weight145.16 g/mol
Exact Mass145.00
IUPAC Name2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CF)n1
InChIInChI=1S/C5H4FNOS/c6-1-5-7-4(2-8)3-9-5/h2-3H,1H2
InChIKeyRSSMKFUCWAEGDL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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-(fluoromethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde (CID 84762876) is 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is RSSMKFUCWAEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNOS/c6-1-5-7-4(2-8)3-9-5/h2-3H,1H2.
What are the key properties of 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde?
2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84762876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).