5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole

C10H9BrN2OS — CID 102618231

IUPAC5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole
SMILESCOC(c1ccccc1)c1nsc(Br)n1
InChIInChI=1S/C10H9BrN2OS/c1-14-8(7-5-3-2-4-6-7)9-12-10(11)15-13-9/h2-6,8H,1H3
InChIKeyXZUPUSQZQXQPEK-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.04
Rot. Bonds3

About 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole

5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole (PubChem CID 102618231) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole
PubChem CID102618231
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole
SMILESCOC(c1ccccc1)c1nsc(Br)n1
InChIInChI=1S/C10H9BrN2OS/c1-14-8(7-5-3-2-4-6-7)9-12-10(11)15-13-9/h2-6,8H,1H3
InChIKeyXZUPUSQZQXQPEK-UHFFFAOYSA-N
XLogP3.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[methoxy(phenyl)methyl]-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

5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 116776857
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
4-[methoxy(phenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 116781866
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 116776623
1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 116743716
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine
CID 116745724
N-ethyl-2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 116743752
4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine
CID 116745810
2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777350
[2-[methoxy(phenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole (CID 102618231) is 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole is COC(c1ccccc1)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole?
The InChIKey is XZUPUSQZQXQPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-14-8(7-5-3-2-4-6-7)9-12-10(11)15-13-9/h2-6,8H,1H3.
What are the key properties of 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole?
5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole has a molecular weight of 285.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102618231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).