3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde

C12H11NO3S — CID 71670258

IUPAC3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1nccs1
InChIInChI=1S/C12H11NO3S/c1-15-11-6-9(7-14)2-3-10(11)16-8-12-13-4-5-17-12/h2-7H,8H2,1H3
InChIKeyVMQNICAYUDUBLV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.54
Rot. Bonds5

About 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde

3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde (PubChem CID 71670258) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
PubChem CID71670258
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1nccs1
InChIInChI=1S/C12H11NO3S/c1-15-11-6-9(7-14)2-3-10(11)16-8-12-13-4-5-17-12/h2-7H,8H2,1H3
InChIKeyVMQNICAYUDUBLV-UHFFFAOYSA-N
XLogP2.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.54
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

3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 30767545
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde
CID 28782536
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
2-methoxy-5-(1,3-thiazol-2-ylmethyl)benzaldehyde
CID 79823849

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde (CID 71670258) is 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde is COc1cc(C=O)ccc1OCc1nccs1.
What is the InChIKey of 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
The InChIKey is VMQNICAYUDUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-15-11-6-9(7-14)2-3-10(11)16-8-12-13-4-5-17-12/h2-7H,8H2,1H3.
What are the key properties of 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde?
3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde has a molecular weight of 249.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 71670258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).