5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole

C9H6ClFN2OS — CID 43407909

IUPAC5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole
SMILESFc1cccc(OCc2nnsc2Cl)c1
InChIInChI=1S/C9H6ClFN2OS/c10-9-8(12-13-15-9)5-14-7-3-1-2-6(11)4-7/h1-4H,5H2
InChIKeyAWZWRGYTLLLDJP-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.91
Rot. Bonds3

About 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole

5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole (PubChem CID 43407909) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole
PubChem CID43407909
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole
SMILESFc1cccc(OCc2nnsc2Cl)c1
InChIInChI=1S/C9H6ClFN2OS/c10-9-8(12-13-15-9)5-14-7-3-1-2-6(11)4-7/h1-4H,5H2
InChIKeyAWZWRGYTLLLDJP-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole (CID 43407909) is 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole is Fc1cccc(OCc2nnsc2Cl)c1.
What is the InChIKey of 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole?
The InChIKey is AWZWRGYTLLLDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c10-9-8(12-13-15-9)5-14-7-3-1-2-6(11)4-7/h1-4H,5H2.
What are the key properties of 5-chloro-4-[(3-fluorophenoxy)methyl]thiadiazole?
5-chloro-4-[(3-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-[(3-fluorophenoxy)methyl]thiadiazole is sourced from PubChem (CID 43407909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).