4-(4-fluorophenyl)thiadiazole-5-carbaldehyde

C9H5FN2OS — CID 83909193

IUPAC4-(4-fluorophenyl)thiadiazole-5-carbaldehyde
SMILESO=Cc1snnc1-c1ccc(F)cc1
InChIInChI=1S/C9H5FN2OS/c10-7-3-1-6(2-4-7)9-8(5-13)14-12-11-9/h1-5H
InChIKeyDVLYEPVXLUIPHP-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.16
Rot. Bonds2

About 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde

4-(4-fluorophenyl)thiadiazole-5-carbaldehyde (PubChem CID 83909193) has the molecular formula C9H5FN2OS and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)thiadiazole-5-carbaldehyde
PubChem CID83909193
Molecular FormulaC9H5FN2OS
Molecular Weight208.22 g/mol
Exact Mass208.01
IUPAC Name4-(4-fluorophenyl)thiadiazole-5-carbaldehyde
SMILESO=Cc1snnc1-c1ccc(F)cc1
InChIInChI=1S/C9H5FN2OS/c10-7-3-1-6(2-4-7)9-8(5-13)14-12-11-9/h1-5H
InChIKeyDVLYEPVXLUIPHP-UHFFFAOYSA-N
XLogP2.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.16
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-(4-fluorophenyl)thiadiazole-5-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde (CID 83909193) is 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde is O=Cc1snnc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde?
The InChIKey is DVLYEPVXLUIPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2OS/c10-7-3-1-6(2-4-7)9-8(5-13)14-12-11-9/h1-5H.
What are the key properties of 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde?
4-(4-fluorophenyl)thiadiazole-5-carbaldehyde has a molecular weight of 208.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)thiadiazole-5-carbaldehyde is sourced from PubChem (CID 83909193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).