5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde

C6H6FNOS — CID 83853787

IUPAC5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(F)c1cnc(C=O)s1
InChIInChI=1S/C6H6FNOS/c1-4(7)5-2-8-6(3-9)10-5/h2-4H,1H3
InChIKeyLTRAJOGSBOBMMV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.99
Rot. Bonds2

About 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde

5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 83853787) has the molecular formula C6H6FNOS and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID83853787
Molecular FormulaC6H6FNOS
Molecular Weight159.19 g/mol
Exact Mass159.02
IUPAC Name5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(F)c1cnc(C=O)s1
InChIInChI=1S/C6H6FNOS/c1-4(7)5-2-8-6(3-9)10-5/h2-4H,1H3
InChIKeyLTRAJOGSBOBMMV-UHFFFAOYSA-N
XLogP1.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.99
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-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde (CID 83853787) is 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde is CC(F)c1cnc(C=O)s1.
What is the InChIKey of 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is LTRAJOGSBOBMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNOS/c1-4(7)5-2-8-6(3-9)10-5/h2-4H,1H3.
What are the key properties of 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde?
5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 83853787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).