2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole

C10H17BrN2OS — CID 64623650

IUPAC2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole
SMILESCCCCC(CC)COc1nnc(Br)s1
InChIInChI=1S/C10H17BrN2OS/c1-3-5-6-8(4-2)7-14-10-13-12-9(11)15-10/h8H,3-7H2,1-2H3
InChIKeyRNWOKJWVVUYQES-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.90
Rot. Bonds7

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

2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole (PubChem CID 64623650) has the molecular formula C10H17BrN2OS and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole
PubChem CID64623650
Molecular FormulaC10H17BrN2OS
Molecular Weight293.23 g/mol
Exact Mass292.02
IUPAC Name2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole
SMILESCCCCC(CC)COc1nnc(Br)s1
InChIInChI=1S/C10H17BrN2OS/c1-3-5-6-8(4-2)7-14-10-13-12-9(11)15-10/h8H,3-7H2,1-2H3
InChIKeyRNWOKJWVVUYQES-UHFFFAOYSA-N
XLogP3.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.90
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-ethylhexoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole (CID 64623650) is 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole is CCCCC(CC)COc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole?
The InChIKey is RNWOKJWVVUYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2OS/c1-3-5-6-8(4-2)7-14-10-13-12-9(11)15-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole?
2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole has a molecular weight of 293.23 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-ethylhexoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64623650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).