5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole

C5H7BrN2OS — CID 102617953

IUPAC5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(Br)n1
InChIInChI=1S/C5H7BrN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyYLHRINJOMGGQFU-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.49
Rot. Bonds3

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

5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 102617953) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID102617953
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(Br)n1
InChIInChI=1S/C5H7BrN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyYLHRINJOMGGQFU-UHFFFAOYSA-N
XLogP1.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
5-Bromo-3-ethyl-1,2,4-thiadiazole
CID 53418423
3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 61412549
5-Bromo-3-propyl-1,2,4-thiadiazole
CID 65274018
Methyl 2-(5-bromo-1,2,4-thiadiazol-3-yl)acetate
CID 82389094
5-Bromo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151209
5-Bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151210
5-Bromo-3-isopropyl-1,2,4-thiadiazole
CID 53408113
5-Bromo-3-(methoxymethyl)-1,2,4-thiadiazole
CID 83884227
5-Methoxy-3-propyl-1,2,4-thiadiazole
CID 89142868
5-Ethoxy-3-methyl-1,2,4-thiadiazole
CID 119096458
3-Ethyl-5-methoxy-1,2,4-thiadiazole
CID 139497480

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 102617953) is 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is YLHRINJOMGGQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3.
What are the key properties of 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 223.09 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102617953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).