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

C17H14N2O3S — CID 30767545

IUPAC3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H14N2O3S/c1-21-16-8-12(9-20)5-6-15(16)22-10-13-11-23-17(19-13)14-4-2-3-7-18-14/h2-9,11H,10H2,1H3
InChIKeySCYWZEFBUGLZNF-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.61
Rot. Bonds6

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

3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde (PubChem CID 30767545) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
PubChem CID30767545
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H14N2O3S/c1-21-16-8-12(9-20)5-6-15(16)22-10-13-11-23-17(19-13)14-4-2-3-7-18-14/h2-9,11H,10H2,1H3
InChIKeySCYWZEFBUGLZNF-UHFFFAOYSA-N
XLogP3.61
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 71670258
N-[4-[(4-formyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 38899618
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753509
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16567274
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 27211250
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 33163824
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde (CID 30767545) is 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde is COc1cc(C=O)ccc1OCc1csc(-c2ccccn2)n1.
What is the InChIKey of 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is SCYWZEFBUGLZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-21-16-8-12(9-20)5-6-15(16)22-10-13-11-23-17(19-13)14-4-2-3-7-18-14/h2-9,11H,10H2,1H3.
What are the key properties of 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde has a molecular weight of 326.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 30767545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).