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

C11H8FNO2S — CID 165455699

IUPAC2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde
SMILESCOc1nscc1-c1ccc(C=O)c(F)c1
InChIInChI=1S/C11H8FNO2S/c1-15-11-9(6-16-13-11)7-2-3-8(5-14)10(12)4-7/h2-6H,1H3
InChIKeyLDNALEGGDXXYOJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.77
Rot. Bonds3

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

2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde (PubChem CID 165455699) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde
PubChem CID165455699
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde
SMILESCOc1nscc1-c1ccc(C=O)c(F)c1
InChIInChI=1S/C11H8FNO2S/c1-15-11-9(6-16-13-11)7-2-3-8(5-14)10(12)4-7/h2-6H,1H3
InChIKeyLDNALEGGDXXYOJ-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.77
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 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde (CID 165455699) is 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde is COc1nscc1-c1ccc(C=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde?
The InChIKey is LDNALEGGDXXYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-15-11-9(6-16-13-11)7-2-3-8(5-14)10(12)4-7/h2-6H,1H3.
What are the key properties of 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde?
2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde has a molecular weight of 237.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methoxy-1,2-thiazol-4-yl)benzaldehyde is sourced from PubChem (CID 165455699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).