5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole

C8H9BrN2S — CID 102943214

IUPAC5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole
SMILESBrc1nsc(C2C3CCCC32)n1
InChIInChI=1S/C8H9BrN2S/c9-8-10-7(12-11-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2
InChIKeyNLPDHHSWUBZLAM-UHFFFAOYSA-N
MW245.14 g/mol
LogP2.81
Rot. Bonds1

About 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole

5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole (PubChem CID 102943214) has the molecular formula C8H9BrN2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole
PubChem CID102943214
Molecular FormulaC8H9BrN2S
Molecular Weight245.14 g/mol
Exact Mass243.97
IUPAC Name5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole
SMILESBrc1nsc(C2C3CCCC32)n1
InChIInChI=1S/C8H9BrN2S/c9-8-10-7(12-11-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2
InChIKeyNLPDHHSWUBZLAM-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-Bromo-5-(3,3-difluorocyclohexyl)-1,2,4-thiadiazole
CID 126974608
3-Bromo-5-cyclononyl-1,2,4-thiadiazole
CID 89633646
5-cyclohexyl-3-[(1R,2S)-2-propan-2-ylcyclopropyl]-1,2,4-thiadiazole
CID 130466715
5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole
CID 130467182
5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole
CID 130472468
5-Cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole
CID 145374393
5-(Cyclohexylmethyl)-1,2,4-thiadiazol-3-amine
CID 64536587
5-Cyclohexyl-1,2,4-thiadiazol-3-amine
CID 64536605

Frequently Asked Questions

What is the IUPAC name of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole?
The IUPAC name of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole (CID 102943214) is 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole?
The canonical SMILES for 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole is Brc1nsc(C2C3CCCC32)n1.
What is the InChIKey of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole?
The InChIKey is NLPDHHSWUBZLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c9-8-10-7(12-11-8)6-4-2-1-3-5(4)6/h4-6H,1-3H2.
What are the key properties of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole?
5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole has a molecular weight of 245.14 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole is sourced from PubChem (CID 102943214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).