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

C10H15BrN2S — CID 102943186

IUPAC3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole
SMILESBrc1nsc(CCC2CCCCC2)n1
InChIInChI=1S/C10H15BrN2S/c11-10-12-9(14-13-10)7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyBDADDZAJQGHIIC-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.81
Rot. Bonds3

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

3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole (PubChem CID 102943186) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole
PubChem CID102943186
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole
SMILESBrc1nsc(CCC2CCCCC2)n1
InChIInChI=1S/C10H15BrN2S/c11-10-12-9(14-13-10)7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyBDADDZAJQGHIIC-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Bis(cyclohexylmethyl)-1,2,4-thiadiazole
CID 138966770
5-(4,4-Difluorocyclohexyl)-1,2,4-thiadiazol-3-amine
CID 81934047
3-Bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943215
3-Bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943291
3-Bromo-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943337
3-Bromo-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
CID 102943368
3-Iodo-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943668
5-(4,4-Difluorocyclohexyl)-3-iodo-1,2,4-thiadiazole
CID 102943701
3-Chloro-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943999
3-Chloro-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
CID 102944032
5-[2-(Trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-3-amine
CID 104622854
3-Bromo-5-(3,3-difluorocyclohexyl)-1,2,4-thiadiazole
CID 126974608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole (CID 102943186) is 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole is Brc1nsc(CCC2CCCCC2)n1.
What is the InChIKey of 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole?
The InChIKey is BDADDZAJQGHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-10-12-9(14-13-10)7-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole?
3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole has a molecular weight of 275.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).