3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole

C11H12N2O4S2 — CID 15981990

IUPAC3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole
SMILESCOc1nsc(S(=O)(=O)CCOc2ccccc2)n1
InChIInChI=1S/C11H12N2O4S2/c1-16-10-12-11(18-13-10)19(14,15)8-7-17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLRMFSPDWEIEACC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.40
Rot. Bonds6

About 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole

3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole (PubChem CID 15981990) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole
PubChem CID15981990
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole
SMILESCOc1nsc(S(=O)(=O)CCOc2ccccc2)n1
InChIInChI=1S/C11H12N2O4S2/c1-16-10-12-11(18-13-10)19(14,15)8-7-17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLRMFSPDWEIEACC-UHFFFAOYSA-N
XLogP1.40
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole (CID 15981990) is 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole is COc1nsc(S(=O)(=O)CCOc2ccccc2)n1.
What is the InChIKey of 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole?
The InChIKey is LRMFSPDWEIEACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-16-10-12-11(18-13-10)19(14,15)8-7-17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole?
3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole has a molecular weight of 300.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-phenoxyethylsulfonyl)-1,2,4-thiadiazole is sourced from PubChem (CID 15981990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).