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

C9H13BrN2OS — CID 102617885

IUPAC5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCCCC1
InChIInChI=1S/C9H13BrN2OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyIJKSSSRONXXVNO-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.11
Rot. Bonds2

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

5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole (PubChem CID 102617885) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
PubChem CID102617885
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCCCC1
InChIInChI=1S/C9H13BrN2OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyIJKSSSRONXXVNO-UHFFFAOYSA-N
XLogP3.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 80680722
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-(4-methoxyoxan-4-yl)-1,2,4-thiadiazole
CID 102618178
5-Bromo-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618184
5-Bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole (CID 102617885) is 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole is COC1(c2nsc(Br)n2)CCCCC1.
What is the InChIKey of 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
The InChIKey is IJKSSSRONXXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3.
What are the key properties of 5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole?
5-bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole has a molecular weight of 277.19 g/mol, XLogP of 3.11, 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-methoxycyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).