3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline

C10H10BrN3OS — CID 81499302

IUPAC3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCc1nsc(Oc2c(N)cccc2Br)n1
InChIInChI=1S/C10H10BrN3OS/c1-2-8-13-10(16-14-8)15-9-6(11)4-3-5-7(9)12/h3-5H,2,12H2,1H3
InChIKeyYBOIXRGWQCKKOM-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.24
Rot. Bonds3

About 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline

3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 81499302) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID81499302
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCc1nsc(Oc2c(N)cccc2Br)n1
InChIInChI=1S/C10H10BrN3OS/c1-2-8-13-10(16-14-8)15-9-6(11)4-3-5-7(9)12/h3-5H,2,12H2,1H3
InChIKeyYBOIXRGWQCKKOM-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 81499302) is 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline is CCc1nsc(Oc2c(N)cccc2Br)n1.
What is the InChIKey of 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is YBOIXRGWQCKKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-2-8-13-10(16-14-8)15-9-6(11)4-3-5-7(9)12/h3-5H,2,12H2,1H3.
What are the key properties of 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 300.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 81499302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).