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

C7H9BrN2OS — CID 102618226

IUPAC5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCC1
InChIInChI=1S/C7H9BrN2OS/c1-11-7(3-2-4-7)5-9-6(8)12-10-5/h2-4H2,1H3
InChIKeyUROWPKNRSZZJOQ-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.33
Rot. Bonds2

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

5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole (PubChem CID 102618226) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
PubChem CID102618226
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Br)n2)CCC1
InChIInChI=1S/C7H9BrN2OS/c1-11-7(3-2-4-7)5-9-6(8)12-10-5/h2-4H2,1H3
InChIKeyUROWPKNRSZZJOQ-UHFFFAOYSA-N
XLogP2.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116744798
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
5-bromo-3-methoxy-1,2,4-thiadiazole
CID 83879207
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782368
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
2-(1-methoxycyclobutyl)pyrimidin-4-amine
CID 116728675
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole (CID 102618226) is 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole is COC1(c2nsc(Br)n2)CCC1.
What is the InChIKey of 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
The InChIKey is UROWPKNRSZZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-11-7(3-2-4-7)5-9-6(8)12-10-5/h2-4H2,1H3.
What are the key properties of 5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole has a molecular weight of 249.13 g/mol, XLogP of 2.33, 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-methoxycyclobutyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).