3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole

C11H11ClN2O2S — CID 54915088

IUPAC3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole
SMILESCOCCc1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C11H11ClN2O2S/c1-15-7-6-8-2-4-9(5-3-8)16-11-10(12)13-17-14-11/h2-5H,6-7H2,1H3
InChIKeyGZWVEYPARKVLKT-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.17
Rot. Bonds5

About 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole

3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole (PubChem CID 54915088) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole
PubChem CID54915088
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole
SMILESCOCCc1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C11H11ClN2O2S/c1-15-7-6-8-2-4-9(5-3-8)16-11-10(12)13-17-14-11/h2-5H,6-7H2,1H3
InChIKeyGZWVEYPARKVLKT-UHFFFAOYSA-N
XLogP3.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole (CID 54915088) is 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole is COCCc1ccc(Oc2nsnc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole?
The InChIKey is GZWVEYPARKVLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-15-7-6-8-2-4-9(5-3-8)16-11-10(12)13-17-14-11/h2-5H,6-7H2,1H3.
What are the key properties of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole?
3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole has a molecular weight of 270.74 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(2-methoxyethyl)phenoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 54915088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).