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

C12H9ClFNOS — CID 122477159

IUPAC2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde
SMILESCCc1sc(-c2ccc(F)cc2Cl)nc1C=O
InChIInChI=1S/C12H9ClFNOS/c1-2-11-10(6-16)15-12(17-11)8-4-3-7(14)5-9(8)13/h3-6H,2H2,1H3
InChIKeyULNCLUDMWNXYHX-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.98
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde (PubChem CID 122477159) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde
PubChem CID122477159
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde
SMILESCCc1sc(-c2ccc(F)cc2Cl)nc1C=O
InChIInChI=1S/C12H9ClFNOS/c1-2-11-10(6-16)15-12(17-11)8-4-3-7(14)5-9(8)13/h3-6H,2H2,1H3
InChIKeyULNCLUDMWNXYHX-UHFFFAOYSA-N
XLogP3.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.98
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-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde (CID 122477159) is 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde is CCc1sc(-c2ccc(F)cc2Cl)nc1C=O.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is ULNCLUDMWNXYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-2-11-10(6-16)15-12(17-11)8-4-3-7(14)5-9(8)13/h3-6H,2H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde?
2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 269.73 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5-ethyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 122477159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).