5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole

C9H6ClFN2OS — CID 43407910

IUPAC5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole
SMILESFc1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C9H6ClFN2OS/c10-9-7(12-13-15-9)5-14-8-4-2-1-3-6(8)11/h1-4H,5H2
InChIKeyKJCZUDMGWOJJAC-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.91
Rot. Bonds3

About 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole

5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole (PubChem CID 43407910) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole
PubChem CID43407910
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole
SMILESFc1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C9H6ClFN2OS/c10-9-7(12-13-15-9)5-14-8-4-2-1-3-6(8)11/h1-4H,5H2
InChIKeyKJCZUDMGWOJJAC-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole (CID 43407910) is 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole is Fc1ccccc1OCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole?
The InChIKey is KJCZUDMGWOJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c10-9-7(12-13-15-9)5-14-8-4-2-1-3-6(8)11/h1-4H,5H2.
What are the key properties of 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole?
5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole has a molecular weight of 244.68 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-fluorophenoxy)methyl]thiadiazole is sourced from PubChem (CID 43407910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).