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

C10H15BrN2OS — CID 102618045

IUPAC5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCCCCC1
InChIInChI=1S/C10H15BrN2OS/c1-14-10(6-4-2-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3
InChIKeyKDYAZXMKGVBUHE-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.50
Rot. Bonds2

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

5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole (PubChem CID 102618045) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
PubChem CID102618045
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCCCCC1
InChIInChI=1S/C10H15BrN2OS/c1-14-10(6-4-2-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3
InChIKeyKDYAZXMKGVBUHE-UHFFFAOYSA-N
XLogP3.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.50
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-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
5-Bromo-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole (CID 102618045) is 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole is COC1(c2nsc(Br)n2)CCCCCC1.
What is the InChIKey of 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
The InChIKey is KDYAZXMKGVBUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-14-10(6-4-2-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3.
What are the key properties of 5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
5-bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole has a molecular weight of 291.21 g/mol, XLogP of 3.50, 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-methoxycycloheptyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).