5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole

C11H17BrN2OS — CID 102617950

IUPAC5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
SMILESCCOC(c1nsc(Br)n1)C1CCCCC1
InChIInChI=1S/C11H17BrN2OS/c1-2-15-9(8-6-4-3-5-7-8)10-13-11(12)16-14-10/h8-9H,2-7H2,1H3
InChIKeyFPGNSUJHDJXWET-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.96
Rot. Bonds4

About 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole

5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole (PubChem CID 102617950) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
PubChem CID102617950
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
SMILESCCOC(c1nsc(Br)n1)C1CCCCC1
InChIInChI=1S/C11H17BrN2OS/c1-2-15-9(8-6-4-3-5-7-8)10-13-11(12)16-14-10/h8-9H,2-7H2,1H3
InChIKeyFPGNSUJHDJXWET-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole (CID 102617950) is 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole is CCOC(c1nsc(Br)n1)C1CCCCC1.
What is the InChIKey of 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole?
The InChIKey is FPGNSUJHDJXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-2-15-9(8-6-4-3-5-7-8)10-13-11(12)16-14-10/h8-9H,2-7H2,1H3.
What are the key properties of 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole?
5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole has a molecular weight of 305.24 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102617950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).