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

C9H5Cl2FN2OS — CID 60673587

IUPAC5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2nnsc2Cl)cc1Cl
InChIInChI=1S/C9H5Cl2FN2OS/c10-6-3-5(1-2-7(6)12)15-4-8-9(11)16-14-13-8/h1-3H,4H2
InChIKeyJYWULLPIRQBPOB-UHFFFAOYSA-N
MW279.12 g/mol
LogP3.56
Rot. Bonds3

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

5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole (PubChem CID 60673587) has the molecular formula C9H5Cl2FN2OS and a molecular weight of 279.12 g/mol. Its IUPAC name is 5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole
PubChem CID60673587
Molecular FormulaC9H5Cl2FN2OS
Molecular Weight279.12 g/mol
Exact Mass277.95
IUPAC Name5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2nnsc2Cl)cc1Cl
InChIInChI=1S/C9H5Cl2FN2OS/c10-6-3-5(1-2-7(6)12)15-4-8-9(11)16-14-13-8/h1-3H,4H2
InChIKeyJYWULLPIRQBPOB-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 53.56
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-chloro-4-fluorophenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole (CID 60673587) is 5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole is Fc1ccc(OCc2nnsc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole?
The InChIKey is JYWULLPIRQBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2OS/c10-6-3-5(1-2-7(6)12)15-4-8-9(11)16-14-13-8/h1-3H,4H2.
What are the key properties of 5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole?
5-chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole has a molecular weight of 279.12 g/mol, XLogP of 3.56, 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-chloro-4-fluorophenoxy)methyl]thiadiazole is sourced from PubChem (CID 60673587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).