5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole

C8H13BrN2OS — CID 102617952

IUPAC5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCCOC(c1nsc(Br)n1)C(C)C
InChIInChI=1S/C8H13BrN2OS/c1-4-12-6(5(2)3)7-10-8(9)13-11-7/h5-6H,4H2,1-3H3
InChIKeyOYEGOLQPNRTROJ-UHFFFAOYSA-N
MW265.18 g/mol
LogP3.03
Rot. Bonds4

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

5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 102617952) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole
PubChem CID102617952
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCCOC(c1nsc(Br)n1)C(C)C
InChIInChI=1S/C8H13BrN2OS/c1-4-12-6(5(2)3)7-10-8(9)13-11-7/h5-6H,4H2,1-3H3
InChIKeyOYEGOLQPNRTROJ-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-1-ethoxy-2-methylpropyl]-5-methyl-1,2,4-thiadiazole
CID 177331542
3-(1-Ethoxy-2-methylpropyl)-5-methyl-1,2,4-thiadiazole
CID 177332407
3-(1-Ethoxypropyl)-5-methyl-1,2,4-thiadiazole
CID 177332478
5-Chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 65267198
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-ethoxyethyl)-1,2,4-thiadiazole
CID 102617980
5-Bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 102617989
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-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole (CID 102617952) is 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole is CCOC(c1nsc(Br)n1)C(C)C.
What is the InChIKey of 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is OYEGOLQPNRTROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c1-4-12-6(5(2)3)7-10-8(9)13-11-7/h5-6H,4H2,1-3H3.
What are the key properties of 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole?
5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 265.18 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).