5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde

C10H7FN2O2S — CID 83912338

IUPAC5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde
SMILESCOc1ccc(-c2snnc2C=O)cc1F
InChIInChI=1S/C10H7FN2O2S/c1-15-9-3-2-6(4-7(9)11)10-8(5-14)12-13-16-10/h2-5H,1H3
InChIKeyWSNUHQFKGJHBJX-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.17
Rot. Bonds3

About 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde

5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde (PubChem CID 83912338) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde
PubChem CID83912338
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde
SMILESCOc1ccc(-c2snnc2C=O)cc1F
InChIInChI=1S/C10H7FN2O2S/c1-15-9-3-2-6(4-7(9)11)10-8(5-14)12-13-16-10/h2-5H,1H3
InChIKeyWSNUHQFKGJHBJX-UHFFFAOYSA-N
XLogP2.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde (CID 83912338) is 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde is COc1ccc(-c2snnc2C=O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde?
The InChIKey is WSNUHQFKGJHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c1-15-9-3-2-6(4-7(9)11)10-8(5-14)12-13-16-10/h2-5H,1H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde?
5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde has a molecular weight of 238.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)thiadiazole-4-carbaldehyde is sourced from PubChem (CID 83912338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).