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

C17H11F2NO2S — CID 142796447

IUPAC2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1cc(F)ccc1-c1nc(C=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H11F2NO2S/c1-22-15-8-12(19)6-7-13(15)17-20-14(9-21)16(23-17)10-2-4-11(18)5-3-10/h2-9H,1H3
InChIKeyHCJAKPDTAZTCST-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.58
Rot. Bonds4

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

2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 142796447) has the molecular formula C17H11F2NO2S and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID142796447
Molecular FormulaC17H11F2NO2S
Molecular Weight331.34 g/mol
Exact Mass331.05
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1cc(F)ccc1-c1nc(C=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H11F2NO2S/c1-22-15-8-12(19)6-7-13(15)17-20-14(9-21)16(23-17)10-2-4-11(18)5-3-10/h2-9H,1H3
InChIKeyHCJAKPDTAZTCST-UHFFFAOYSA-N
XLogP4.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde (CID 142796447) is 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde is COc1cc(F)ccc1-c1nc(C=O)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is HCJAKPDTAZTCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2S/c1-22-15-8-12(19)6-7-13(15)17-20-14(9-21)16(23-17)10-2-4-11(18)5-3-10/h2-9H,1H3.
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 331.34 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-5-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 142796447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).