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

C5H7BrN2OS — CID 102618090

IUPAC5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole
SMILESCOC(C)c1nsc(Br)n1
InChIInChI=1S/C5H7BrN2OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3
InChIKeyKASXONMAPXRSPX-UHFFFAOYSA-N
MW223.09 g/mol
LogP2.01
Rot. Bonds2

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

5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 102618090) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole
PubChem CID102618090
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole
SMILESCOC(C)c1nsc(Br)n1
InChIInChI=1S/C5H7BrN2OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3
InChIKeyKASXONMAPXRSPX-UHFFFAOYSA-N
XLogP2.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 79616034
5-Bromo-3-(methoxymethyl)-1,2,4-thiadiazole
CID 83884227
3-(1-Ethoxyethyl)-1,2,4-thiadiazol-5-amine
CID 64539845
5-Chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 65267198
5-Chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 79604486
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
3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
CID 97049119
3-[(1R)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
CID 97049120
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole (CID 102618090) is 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole is COC(C)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is KASXONMAPXRSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3.
What are the key properties of 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole?
5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 223.09 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).