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

C11H17BrN2OS — CID 102618116

IUPAC5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCC(C)(C)CC1
InChIInChI=1S/C11H17BrN2OS/c1-10(2)4-6-11(15-3,7-5-10)8-13-9(12)16-14-8/h4-7H2,1-3H3
InChIKeyGFGNQOSQLGCLNR-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.74
Rot. Bonds2

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

5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102618116) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102618116
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCC(C)(C)CC1
InChIInChI=1S/C11H17BrN2OS/c1-10(2)4-6-11(15-3,7-5-10)8-13-9(12)16-14-8/h4-7H2,1-3H3
InChIKeyGFGNQOSQLGCLNR-UHFFFAOYSA-N
XLogP3.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102617885
5-Bromo-3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617889
5-Bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
CID 102617950
5-Bromo-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617993
5-Bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618045
5-Bromo-3-[cyclohexyl(methoxy)methyl]-1,2,4-thiadiazole
CID 102618117
5-Bromo-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazole
CID 102618122
5-Bromo-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618184
5-Bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 102618225
5-Bromo-3-(1-ethoxycyclohexyl)-1,2,4-thiadiazole
CID 102618227
5-Bromo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
CID 102618268
5-Bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (CID 102618116) is 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is COC1(c2nsc(Br)n2)CCC(C)(C)CC1.
What is the InChIKey of 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is GFGNQOSQLGCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-10(2)4-6-11(15-3,7-5-10)8-13-9(12)16-14-8/h4-7H2,1-3H3.
What are the key properties of 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 305.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).