2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde

C10H5F2NOS — CID 58504235

IUPAC2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2c(F)cccc2F)s1
InChIInChI=1S/C10H5F2NOS/c11-7-2-1-3-8(12)9(7)10-13-4-6(5-14)15-10/h1-5H
InChIKeyDALGECSTWYGKIY-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.90
Rot. Bonds2

About 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde

2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 58504235) has the molecular formula C10H5F2NOS and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID58504235
Molecular FormulaC10H5F2NOS
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Name2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2c(F)cccc2F)s1
InChIInChI=1S/C10H5F2NOS/c11-7-2-1-3-8(12)9(7)10-13-4-6(5-14)15-10/h1-5H
InChIKeyDALGECSTWYGKIY-UHFFFAOYSA-N
XLogP2.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.90
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-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde (CID 58504235) is 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2c(F)cccc2F)s1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is DALGECSTWYGKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NOS/c11-7-2-1-3-8(12)9(7)10-13-4-6(5-14)15-10/h1-5H.
What are the key properties of 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde?
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 225.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 58504235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).