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

C10H15BrN2OS — CID 64731048

IUPAC2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole
SMILESCC1CC(C)CC(Oc2nnc(Br)s2)C1
InChIInChI=1S/C10H15BrN2OS/c1-6-3-7(2)5-8(4-6)14-10-13-12-9(11)15-10/h6-8H,3-5H2,1-2H3
InChIKeyCOFFVKJDQPYHME-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.50
Rot. Bonds2

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

2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole (PubChem CID 64731048) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole
PubChem CID64731048
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole
SMILESCC1CC(C)CC(Oc2nnc(Br)s2)C1
InChIInChI=1S/C10H15BrN2OS/c1-6-3-7(2)5-8(4-6)14-10-13-12-9(11)15-10/h6-8H,3-5H2,1-2H3
InChIKeyCOFFVKJDQPYHME-UHFFFAOYSA-N
XLogP3.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-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 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole (CID 64731048) is 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole is CC1CC(C)CC(Oc2nnc(Br)s2)C1.
What is the InChIKey of 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole?
The InChIKey is COFFVKJDQPYHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-6-3-7(2)5-8(4-6)14-10-13-12-9(11)15-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole?
2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole has a molecular weight of 291.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3,5-dimethylcyclohexyl)oxy-1,3,4-thiadiazole is sourced from PubChem (CID 64731048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).