2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole

C7H9BrN2OS — CID 64625262

IUPAC2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole
SMILESBrc1nnc(OC2CCCC2)s1
InChIInChI=1S/C7H9BrN2OS/c8-6-9-10-7(12-6)11-5-3-1-2-4-5/h5H,1-4H2
InChIKeyAQNLDJKADMQQNT-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.62
Rot. Bonds2

About 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole

2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole (PubChem CID 64625262) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole
PubChem CID64625262
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole
SMILESBrc1nnc(OC2CCCC2)s1
InChIInChI=1S/C7H9BrN2OS/c8-6-9-10-7(12-6)11-5-3-1-2-4-5/h5H,1-4H2
InChIKeyAQNLDJKADMQQNT-UHFFFAOYSA-N
XLogP2.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole (CID 64625262) is 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole is Brc1nnc(OC2CCCC2)s1.
What is the InChIKey of 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole?
The InChIKey is AQNLDJKADMQQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-6-9-10-7(12-6)11-5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole?
2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole has a molecular weight of 249.13 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclopentyloxy-1,3,4-thiadiazole is sourced from PubChem (CID 64625262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).