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

C18H15NO3S — CID 24617834

IUPAC5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1ccc(OCc2csc(-c3ccccc3)n2)c(C=O)c1
InChIInChI=1S/C18H15NO3S/c1-21-16-7-8-17(14(9-16)10-20)22-11-15-12-23-18(19-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyHILKXXNJEZEDBX-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.21
Rot. Bonds6

About 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde

5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (PubChem CID 24617834) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
PubChem CID24617834
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1ccc(OCc2csc(-c3ccccc3)n2)c(C=O)c1
InChIInChI=1S/C18H15NO3S/c1-21-16-7-8-17(14(9-16)10-20)22-11-15-12-23-18(19-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyHILKXXNJEZEDBX-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

2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-nitrobenzaldehyde
CID 38926198
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
CID 8946764
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
1-[3-methoxy-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 26036629
2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648428
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
4-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-2-phenyl-1,3-thiazole
CID 5006694
3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 30767545
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (CID 24617834) is 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is COc1ccc(OCc2csc(-c3ccccc3)n2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is HILKXXNJEZEDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-21-16-7-8-17(14(9-16)10-20)22-11-15-12-23-18(19-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
5-methoxy-2-[(2-phenyl-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 5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 24617834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).