3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole

C7H11BrN2OS — CID 102943242

IUPAC3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole
SMILESCC(C)(C)OCc1nc(Br)ns1
InChIInChI=1S/C7H11BrN2OS/c1-7(2,3)11-4-5-9-6(8)10-12-5/h4H2,1-3H3
InChIKeyCXYCJYIJEQNFGC-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.62
Rot. Bonds2

About 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole

3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole (PubChem CID 102943242) has the molecular formula C7H11BrN2OS and a molecular weight of 251.15 g/mol. Its IUPAC name is 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole
PubChem CID102943242
Molecular FormulaC7H11BrN2OS
Molecular Weight251.15 g/mol
Exact Mass249.98
IUPAC Name3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole
SMILESCC(C)(C)OCc1nc(Br)ns1
InChIInChI=1S/C7H11BrN2OS/c1-7(2,3)11-4-5-9-6(8)10-12-5/h4H2,1-3H3
InChIKeyCXYCJYIJEQNFGC-UHFFFAOYSA-N
XLogP2.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 90400203
3-Bromo-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
CID 122508744
3-(2-Ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 135170706
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
5-(Ethoxymethyl)-1,2,4-thiadiazol-3-amine
CID 64544867
5-Bromo-3-(ethoxymethyl)-1,2,4-thiadiazole
CID 83891011
5-Bromo-3-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 83897484
5-Bromo-3-(2-methylpropoxymethyl)-1,2,4-thiadiazole
CID 83900459
5-Bromo-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 102617980
5-Bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 102617989
5-Bromo-3-(propoxymethyl)-1,2,4-thiadiazole
CID 102618164
5-Bromo-3-(2-ethoxypropan-2-yl)-1,2,4-thiadiazole
CID 102618182

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole (CID 102943242) is 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole is CC(C)(C)OCc1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
The InChIKey is CXYCJYIJEQNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2OS/c1-7(2,3)11-4-5-9-6(8)10-12-5/h4H2,1-3H3.
What are the key properties of 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole?
3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole has a molecular weight of 251.15 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102943242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).