5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole

C6H9BrN2OS — CID 102617989

IUPAC5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(Br)n1
InChIInChI=1S/C6H9BrN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3
InChIKeyBYAVAVJJUDYVLX-UHFFFAOYSA-N
MW237.12 g/mol
LogP2.18
Rot. Bonds2

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

5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole (PubChem CID 102617989) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
PubChem CID102617989
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(Br)n1
InChIInChI=1S/C6H9BrN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3
InChIKeyBYAVAVJJUDYVLX-UHFFFAOYSA-N
XLogP2.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 79202176
5-Chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 79194891
5-Bromo-3-(methoxymethyl)-1,2,4-thiadiazole
CID 83884227
3-(2-Methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 90400203
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-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102617887
5-Bromo-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-thiadiazole
CID 102617891
5-Bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102617952
5-Bromo-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 102617980
5-Bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 102618090
5-Bromo-3-(1-methoxypropyl)-1,2,4-thiadiazole
CID 102618114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole (CID 102617989) is 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole is COC(C)(C)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The InChIKey is BYAVAVJJUDYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3.
What are the key properties of 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole has a molecular weight of 237.12 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).