5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole

C12H19BrN2S — CID 102618079

IUPAC5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole
SMILESCC(C)(C)C1CCC(c2nsc(Br)n2)CC1
InChIInChI=1S/C12H19BrN2S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h8-9H,4-7H2,1-3H3
InChIKeyARJFCFDLBGPBTJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.62
Rot. Bonds1

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

5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102618079) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102618079
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole
SMILESCC(C)(C)C1CCC(c2nsc(Br)n2)CC1
InChIInChI=1S/C12H19BrN2S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h8-9H,4-7H2,1-3H3
InChIKeyARJFCFDLBGPBTJ-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.62
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-tert-butylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole (CID 102618079) is 5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole is CC(C)(C)C1CCC(c2nsc(Br)n2)CC1.
What is the InChIKey of 5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is ARJFCFDLBGPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole?
5-bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 303.27 g/mol, XLogP of 4.62, 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-tert-butylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).