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

C10H15BrN2S — CID 102618109

IUPAC5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCC1(C)CCC(c2nsc(Br)n2)CC1
InChIInChI=1S/C10H15BrN2S/c1-10(2)5-3-7(4-6-10)8-12-9(11)14-13-8/h7H,3-6H2,1-2H3
InChIKeyZOJCGJGDYDTPKU-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.98
Rot. Bonds1

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

5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102618109) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102618109
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCC1(C)CCC(c2nsc(Br)n2)CC1
InChIInChI=1S/C10H15BrN2S/c1-10(2)5-3-7(4-6-10)8-12-9(11)14-13-8/h7H,3-6H2,1-2H3
InChIKeyZOJCGJGDYDTPKU-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (CID 102618109) is 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is CC1(C)CCC(c2nsc(Br)n2)CC1.
What is the InChIKey of 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is ZOJCGJGDYDTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-10(2)5-3-7(4-6-10)8-12-9(11)14-13-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 275.21 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).