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

C9H7BrN2S — CID 83901137

IUPAC5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nsc(Br)n2)c1
InChIInChI=1S/C9H7BrN2S/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3
InChIKeyHKULGQYFRHFRDL-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.28
Rot. Bonds1

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

5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole (PubChem CID 83901137) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
PubChem CID83901137
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nsc(Br)n2)c1
InChIInChI=1S/C9H7BrN2S/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3
InChIKeyHKULGQYFRHFRDL-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
CID 59510678
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
5-bromo-3-(3-methylphenyl)-1H-1,2,4-triazole
CID 51072233
2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4141935
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 134408534
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole (CID 83901137) is 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole is Cc1cccc(-c2nsc(Br)n2)c1.
What is the InChIKey of 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is HKULGQYFRHFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3.
What are the key properties of 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole?
5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole has a molecular weight of 255.14 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 83901137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).