3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole

C9H6Cl2N2OS — CID 65125047

IUPAC3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole
SMILESClc1cccc(COc2nsnc2Cl)c1
InChIInChI=1S/C9H6Cl2N2OS/c10-7-3-1-2-6(4-7)5-14-9-8(11)12-15-13-9/h1-4H,5H2
InChIKeyLQWQZVJXKUCIEW-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.42
Rot. Bonds3

About 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole

3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole (PubChem CID 65125047) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole
PubChem CID65125047
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole
SMILESClc1cccc(COc2nsnc2Cl)c1
InChIInChI=1S/C9H6Cl2N2OS/c10-7-3-1-2-6(4-7)5-14-9-8(11)12-15-13-9/h1-4H,5H2
InChIKeyLQWQZVJXKUCIEW-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole (CID 65125047) is 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole is Clc1cccc(COc2nsnc2Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is LQWQZVJXKUCIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-7-3-1-2-6(4-7)5-14-9-8(11)12-15-13-9/h1-4H,5H2.
What are the key properties of 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole?
3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole has a molecular weight of 261.13 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-chlorophenyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 65125047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).