4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde

C18H14FNO3S — CID 52554108

IUPAC4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H14FNO3S/c19-14-3-7-17(8-4-14)23-11-18-20-15(12-24-18)10-22-16-5-1-13(9-21)2-6-16/h1-9,12H,10-11H2
InChIKeyINBHEBDSKAMNTG-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.25
Rot. Bonds7

About 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde

4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde (PubChem CID 52554108) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
PubChem CID52554108
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H14FNO3S/c19-14-3-7-17(8-4-14)23-11-18-20-15(12-24-18)10-22-16-5-1-13(9-21)2-6-16/h1-9,12H,10-11H2
InChIKeyINBHEBDSKAMNTG-UHFFFAOYSA-N
XLogP4.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde
CID 59255367
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 32563257
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)acetate
CID 55422373
2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole
CID 16960575
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 18272289
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde (CID 52554108) is 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde is O=Cc1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The InChIKey is INBHEBDSKAMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-14-3-7-17(8-4-14)23-11-18-20-15(12-24-18)10-22-16-5-1-13(9-21)2-6-16/h1-9,12H,10-11H2.
What are the key properties of 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde?
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde has a molecular weight of 343.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 52554108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).