2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole

C9H13BrN2S — CID 131151014

IUPAC2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole
SMILESCC(C)(c1nnc(Br)s1)C1CCC1
InChIInChI=1S/C9H13BrN2S/c1-9(2,6-4-3-5-6)7-11-12-8(10)13-7/h6H,3-5H2,1-2H3
InChIKeyGUZZVDPZZRAACT-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.38
Rot. Bonds2

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

2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole (PubChem CID 131151014) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole
PubChem CID131151014
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole
SMILESCC(C)(c1nnc(Br)s1)C1CCC1
InChIInChI=1S/C9H13BrN2S/c1-9(2,6-4-3-5-6)7-11-12-8(10)13-7/h6H,3-5H2,1-2H3
InChIKeyGUZZVDPZZRAACT-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole (CID 131151014) is 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole is CC(C)(c1nnc(Br)s1)C1CCC1.
What is the InChIKey of 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole?
The InChIKey is GUZZVDPZZRAACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-9(2,6-4-3-5-6)7-11-12-8(10)13-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole?
2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole has a molecular weight of 261.19 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-cyclobutylpropan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 131151014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).