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

C18H15NO3S — CID 10520099

IUPAC4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESCOc1ccc(-c2nc(COc3ccc(C=O)cc3)cs2)cc1
InChIInChI=1S/C18H15NO3S/c1-21-16-8-4-14(5-9-16)18-19-15(12-23-18)11-22-17-6-2-13(10-20)3-7-17/h2-10,12H,11H2,1H3
InChIKeyDYDQFECKCRBQFV-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.21
Rot. Bonds6

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

4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde (PubChem CID 10520099) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
PubChem CID10520099
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
SMILESCOc1ccc(-c2nc(COc3ccc(C=O)cc3)cs2)cc1
InChIInChI=1S/C18H15NO3S/c1-21-16-8-4-14(5-9-16)18-19-15(12-23-18)11-22-17-6-2-13(10-20)3-7-17/h2-10,12H,11H2,1H3
InChIKeyDYDQFECKCRBQFV-UHFFFAOYSA-N
XLogP4.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.21
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-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569
4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 27211250
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861532
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10497495
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753509

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde (CID 10520099) is 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde is COc1ccc(-c2nc(COc3ccc(C=O)cc3)cs2)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
The InChIKey is DYDQFECKCRBQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-21-16-8-4-14(5-9-16)18-19-15(12-23-18)11-22-17-6-2-13(10-20)3-7-17/h2-10,12H,11H2,1H3.
What are the key properties of 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde?
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde has a molecular weight of 325.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 10520099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).