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

C12H11NO2S — CID 4962841

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCc1nc(COc2ccc(C=O)cc2)cs1
InChIInChI=1S/C12H11NO2S/c1-9-13-11(8-16-9)7-15-12-4-2-10(6-14)3-5-12/h2-6,8H,7H2,1H3
InChIKeyLHPYGOIPPJVZPX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.84
Rot. Bonds4

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

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (PubChem CID 4962841) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
PubChem CID4962841
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCc1nc(COc2ccc(C=O)cc2)cs1
InChIInChI=1S/C12H11NO2S/c1-9-13-11(8-16-9)7-15-12-4-2-10(6-14)3-5-12/h2-6,8H,7H2,1H3
InChIKeyLHPYGOIPPJVZPX-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (CID 4962841) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is Cc1nc(COc2ccc(C=O)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is LHPYGOIPPJVZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-9-13-11(8-16-9)7-15-12-4-2-10(6-14)3-5-12/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde has a molecular weight of 233.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 4962841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).