5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole

C8H11BrN2OS — CID 102618281

IUPAC5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole
SMILESCCOC(c1nsc(Br)n1)C1CC1
InChIInChI=1S/C8H11BrN2OS/c1-2-12-6(5-3-4-5)7-10-8(9)13-11-7/h5-6H,2-4H2,1H3
InChIKeyJZCJIXLGWHIRJO-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.79
Rot. Bonds4

About 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole

5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole (PubChem CID 102618281) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole
PubChem CID102618281
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole
SMILESCCOC(c1nsc(Br)n1)C1CC1
InChIInChI=1S/C8H11BrN2OS/c1-2-12-6(5-3-4-5)7-10-8(9)13-11-7/h5-6H,2-4H2,1H3
InChIKeyJZCJIXLGWHIRJO-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethoxycyclopentyl)-1,2,4-thiadiazole
CID 102617991
5-Bromo-3-(1-methoxypropyl)-1,2,4-thiadiazole
CID 102618114
5-Bromo-3-(1-ethoxybutyl)-1,2,4-thiadiazole
CID 102618119
5-Bromo-3-(1-ethoxypropyl)-1,2,4-thiadiazole
CID 102618120
5-Bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618186
5-Bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
CID 102618226
5-Bromo-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618229
5-Bromo-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazole
CID 102618269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole (CID 102618281) is 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole is CCOC(c1nsc(Br)n1)C1CC1.
What is the InChIKey of 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole?
The InChIKey is JZCJIXLGWHIRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-2-12-6(5-3-4-5)7-10-8(9)13-11-7/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole?
5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole has a molecular weight of 263.16 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[cyclopropyl(ethoxy)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102618281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).