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

C12H19BrN2OS — CID 102618275

IUPAC5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(Br)n2)CCC(C)(C)CC1
InChIInChI=1S/C12H19BrN2OS/c1-4-16-12(9-14-10(13)17-15-9)7-5-11(2,3)6-8-12/h4-8H2,1-3H3
InChIKeyHGRWEOLNNXGRON-UHFFFAOYSA-N
MW319.27 g/mol
LogP4.13
Rot. Bonds3

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

5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102618275) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102618275
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(Br)n2)CCC(C)(C)CC1
InChIInChI=1S/C12H19BrN2OS/c1-4-16-12(9-14-10(13)17-15-9)7-5-11(2,3)6-8-12/h4-8H2,1-3H3
InChIKeyHGRWEOLNNXGRON-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 54.13
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-ethoxycyclopentyl)-1,2,4-thiadiazole
CID 102617991
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-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618116
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole (CID 102618275) is 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is CCOC1(c2nsc(Br)n2)CCC(C)(C)CC1.
What is the InChIKey of 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is HGRWEOLNNXGRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-4-16-12(9-14-10(13)17-15-9)7-5-11(2,3)6-8-12/h4-8H2,1-3H3.
What are the key properties of 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole?
5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 319.27 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).