3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

C6H4BrN3OS — CID 112571697

IUPAC3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncsc1-c1nc(Br)no1
InChIInChI=1S/C6H4BrN3OS/c1-3-4(12-2-8-3)5-9-6(7)10-11-5/h2H,1H3
InChIKeyLVNIOEUJOLFZET-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.26
Rot. Bonds1

About 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 112571697) has the molecular formula C6H4BrN3OS and a molecular weight of 246.09 g/mol. Its IUPAC name is 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID112571697
Molecular FormulaC6H4BrN3OS
Molecular Weight246.09 g/mol
Exact Mass244.93
IUPAC Name3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncsc1-c1nc(Br)no1
InChIInChI=1S/C6H4BrN3OS/c1-3-4(12-2-8-3)5-9-6(7)10-11-5/h2H,1H3
InChIKeyLVNIOEUJOLFZET-UHFFFAOYSA-N
XLogP2.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325491
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334499
3-[(1R)-1-methoxyethyl]-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 95972499
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096203
5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 71918844
[2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine
CID 82505420
4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 104842317
3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571688
3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 112571777
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071809
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 112571697) is 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is Cc1ncsc1-c1nc(Br)no1.
What is the InChIKey of 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is LVNIOEUJOLFZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3OS/c1-3-4(12-2-8-3)5-9-6(7)10-11-5/h2H,1H3.
What are the key properties of 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 246.09 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).