2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde

C10H6FNO2S — CID 139415973

IUPAC2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(Oc2ccc(F)cc2)s1
InChIInChI=1S/C10H6FNO2S/c11-7-1-3-8(4-2-7)14-10-12-5-9(6-13)15-10/h1-6H
InChIKeyVSVIXPQJWCVPPA-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde

2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 139415973) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID139415973
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(Oc2ccc(F)cc2)s1
InChIInChI=1S/C10H6FNO2S/c11-7-1-3-8(4-2-7)14-10-12-5-9(6-13)15-10/h1-6H
InChIKeyVSVIXPQJWCVPPA-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde (CID 139415973) is 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(Oc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is VSVIXPQJWCVPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-7-1-3-8(4-2-7)14-10-12-5-9(6-13)15-10/h1-6H.
What are the key properties of 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde?
2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 223.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 139415973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).