5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole

C11H17BrN2S — CID 102617928

IUPAC5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole
SMILESCC(C)C1CCC(c2nsc(Br)n2)CC1
InChIInChI=1S/C11H17BrN2S/c1-7(2)8-3-5-9(6-4-8)10-13-11(12)15-14-10/h7-9H,3-6H2,1-2H3
InChIKeyJNVHVLGAGFJZFE-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.23
Rot. Bonds2

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

5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102617928) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102617928
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole
SMILESCC(C)C1CCC(c2nsc(Br)n2)CC1
InChIInChI=1S/C11H17BrN2S/c1-7(2)8-3-5-9(6-4-8)10-13-11(12)15-14-10/h7-9H,3-6H2,1-2H3
InChIKeyJNVHVLGAGFJZFE-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole (CID 102617928) is 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole is CC(C)C1CCC(c2nsc(Br)n2)CC1.
What is the InChIKey of 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is JNVHVLGAGFJZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-7(2)8-3-5-9(6-4-8)10-13-11(12)15-14-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole?
5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 289.24 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).