3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole

C10H9ClN2OS — CID 43808065

IUPAC3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole
SMILESCCc1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-2-7-4-3-5-8(6-7)14-10-9(11)12-15-13-10/h3-6H,2H2,1H3
InChIKeyQNUVBWFYLBQIID-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole

3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole (PubChem CID 43808065) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole
PubChem CID43808065
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole
SMILESCCc1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-2-7-4-3-5-8(6-7)14-10-9(11)12-15-13-10/h3-6H,2H2,1H3
InChIKeyQNUVBWFYLBQIID-UHFFFAOYSA-N
XLogP3.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.55
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-ethylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole (CID 43808065) is 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole is CCc1cccc(Oc2nsnc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole?
The InChIKey is QNUVBWFYLBQIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-2-7-4-3-5-8(6-7)14-10-9(11)12-15-13-10/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(3-ethylphenoxy)-1,2,5-thiadiazole has a molecular weight of 240.72 g/mol, XLogP of 3.55, 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-ethylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 43808065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).