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

C10H6FNOS — CID 45036825

IUPAC2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKeyDVWKNTOIBIVPPA-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.76
Rot. Bonds2

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

2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 45036825) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID45036825
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cccc(F)c2)s1
InChIInChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H
InChIKeyDVWKNTOIBIVPPA-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.76
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-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde (CID 45036825) is 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2cccc(F)c2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is DVWKNTOIBIVPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-12-5-9(6-13)14-10/h1-6H.
What are the key properties of 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 45036825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).