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

C11H8FNO2S — CID 139415887

IUPAC2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Oc2ccc(F)cc2)sc1C=O
InChIInChI=1S/C11H8FNO2S/c1-7-10(6-14)16-11(13-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyMGRCXNKLPSDAJY-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.20
Rot. Bonds3

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

2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 139415887) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID139415887
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Oc2ccc(F)cc2)sc1C=O
InChIInChI=1S/C11H8FNO2S/c1-7-10(6-14)16-11(13-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyMGRCXNKLPSDAJY-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.20
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)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 139415887) is 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(Oc2ccc(F)cc2)sc1C=O.
What is the InChIKey of 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is MGRCXNKLPSDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-7-10(6-14)16-11(13-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3.
What are the key properties of 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 237.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 139415887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).