5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole

C12H13FN2O2S — CID 100673478

IUPAC5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(Oc2cc(F)ccc2C)n1
InChIInChI=1S/C12H13FN2O2S/c1-8-3-4-9(13)7-10(8)17-12-14-11(15-18-12)5-6-16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyUSBAONFCDKSDIA-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.97
Rot. Bonds5

About 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 100673478) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID100673478
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(Oc2cc(F)ccc2C)n1
InChIInChI=1S/C12H13FN2O2S/c1-8-3-4-9(13)7-10(8)17-12-14-11(15-18-12)5-6-16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyUSBAONFCDKSDIA-UHFFFAOYSA-N
XLogP2.97
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 100673478) is 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(Oc2cc(F)ccc2C)n1.
What is the InChIKey of 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is USBAONFCDKSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c1-8-3-4-9(13)7-10(8)17-12-14-11(15-18-12)5-6-16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 268.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenoxy)-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 100673478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).