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

C9H7BrFN3OS — CID 103483695

IUPAC5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2cc(F)c(Br)cc2N)n1
InChIInChI=1S/C9H7BrFN3OS/c1-4-13-9(16-14-4)15-8-3-6(11)5(10)2-7(8)12/h2-3H,12H2,1H3
InChIKeyYSKCJZYGQITSNF-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.12
Rot. Bonds2

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

5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 103483695) has the molecular formula C9H7BrFN3OS and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID103483695
Molecular FormulaC9H7BrFN3OS
Molecular Weight304.14 g/mol
Exact Mass302.95
IUPAC Name5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2cc(F)c(Br)cc2N)n1
InChIInChI=1S/C9H7BrFN3OS/c1-4-13-9(16-14-4)15-8-3-6(11)5(10)2-7(8)12/h2-3H,12H2,1H3
InChIKeyYSKCJZYGQITSNF-UHFFFAOYSA-N
XLogP3.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483732
5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483696
5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133424725
5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline
CID 103483890
4-bromo-5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 116736865
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-4-fluoroaniline
CID 66111165
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
5-(2,6-difluorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133425367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 103483695) is 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is Cc1nsc(Oc2cc(F)c(Br)cc2N)n1.
What is the InChIKey of 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is YSKCJZYGQITSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3OS/c1-4-13-9(16-14-4)15-8-3-6(11)5(10)2-7(8)12/h2-3H,12H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 304.14 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 103483695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).