2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde

C16H8F3NOS — CID 142793690

IUPAC2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(-c2cccc(F)c2F)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H8F3NOS/c17-10-6-4-9(5-7-10)15-13(8-21)20-16(22-15)11-2-1-3-12(18)14(11)19/h1-8H
InChIKeyCVQZRUSJUHLCKA-UHFFFAOYSA-N
MW319.31 g/mol
LogP4.71
Rot. Bonds3

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

2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 142793690) has the molecular formula C16H8F3NOS and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID142793690
Molecular FormulaC16H8F3NOS
Molecular Weight319.31 g/mol
Exact Mass319.03
IUPAC Name2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(-c2cccc(F)c2F)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H8F3NOS/c17-10-6-4-9(5-7-10)15-13(8-21)20-16(22-15)11-2-1-3-12(18)14(11)19/h1-8H
InChIKeyCVQZRUSJUHLCKA-UHFFFAOYSA-N
XLogP4.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde
CID 133093667
3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093641
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783
5-(2,3-difluorophenyl)-2-fluorobenzaldehyde
CID 63988586
2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole
CID 174756262
4-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106645
5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 133091494
6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde
CID 133093663
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
[4-(2,3-difluorophenyl)phenyl] formate
CID 126522814
methyl 4-chloro-2-(2,3-difluorophenyl)-1,3-thiazole-5-carboxylate
CID 79078795
3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569136

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde (CID 142793690) is 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1nc(-c2cccc(F)c2F)sc1-c1ccc(F)cc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is CVQZRUSJUHLCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3NOS/c17-10-6-4-9(5-7-10)15-13(8-21)20-16(22-15)11-2-1-3-12(18)14(11)19/h1-8H.
What are the key properties of 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 319.31 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 142793690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).