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

C12H10FNO2S — CID 103850018

IUPAC3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCc1nc(COc2ccc(C=O)cc2F)cs1
InChIInChI=1S/C12H10FNO2S/c1-8-14-10(7-17-8)6-16-12-3-2-9(5-15)4-11(12)13/h2-5,7H,6H2,1H3
InChIKeyFPTZFBCZLXMLQW-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.98
Rot. Bonds4

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

3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (PubChem CID 103850018) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
PubChem CID103850018
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCc1nc(COc2ccc(C=O)cc2F)cs1
InChIInChI=1S/C12H10FNO2S/c1-8-14-10(7-17-8)6-16-12-3-2-9(5-15)4-11(12)13/h2-5,7H,6H2,1H3
InChIKeyFPTZFBCZLXMLQW-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.98
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 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (CID 103850018) is 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is Cc1nc(COc2ccc(C=O)cc2F)cs1.
What is the InChIKey of 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is FPTZFBCZLXMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-8-14-10(7-17-8)6-16-12-3-2-9(5-15)4-11(12)13/h2-5,7H,6H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde has a molecular weight of 251.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 103850018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).