2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole

C10H15BrN2OS — CID 64622389

IUPAC2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole
SMILESCCC1CCCCC1Oc1nnc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-2-7-5-3-4-6-8(7)14-10-13-12-9(11)15-10/h7-8H,2-6H2,1H3
InChIKeyZEOAIBDIMJHGFX-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.65
Rot. Bonds3

About 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole

2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole (PubChem CID 64622389) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole
PubChem CID64622389
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole
SMILESCCC1CCCCC1Oc1nnc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-2-7-5-3-4-6-8(7)14-10-13-12-9(11)15-10/h7-8H,2-6H2,1H3
InChIKeyZEOAIBDIMJHGFX-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole (CID 64622389) is 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole is CCC1CCCCC1Oc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole?
The InChIKey is ZEOAIBDIMJHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-2-7-5-3-4-6-8(7)14-10-13-12-9(11)15-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole?
2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole has a molecular weight of 291.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-ethylcyclohexyl)oxy-1,3,4-thiadiazole is sourced from PubChem (CID 64622389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).