5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline

C9H6BrFN2OS — CID 103483890

IUPAC5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline
SMILESNc1cc(Br)c(F)cc1Oc1nccs1
InChIInChI=1S/C9H6BrFN2OS/c10-5-3-7(12)8(4-6(5)11)14-9-13-1-2-15-9/h1-4H,12H2
InChIKeyIAYRYAZSPYKMIC-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.42
Rot. Bonds2

About 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline

5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline (PubChem CID 103483890) has the molecular formula C9H6BrFN2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline
PubChem CID103483890
Molecular FormulaC9H6BrFN2OS
Molecular Weight289.13 g/mol
Exact Mass287.94
IUPAC Name5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline
SMILESNc1cc(Br)c(F)cc1Oc1nccs1
InChIInChI=1S/C9H6BrFN2OS/c10-5-3-7(12)8(4-6(5)11)14-9-13-1-2-15-9/h1-4H,12H2
InChIKeyIAYRYAZSPYKMIC-UHFFFAOYSA-N
XLogP3.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline
CID 63599546
5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103483695
4-methyl-2-(1,3-thiazol-2-yloxy)aniline
CID 43364080
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-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide
CID 103483894
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
CID 81322372

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline?
The IUPAC name of 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline (CID 103483890) is 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline is Nc1cc(Br)c(F)cc1Oc1nccs1.
What is the InChIKey of 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline?
The InChIKey is IAYRYAZSPYKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2OS/c10-5-3-7(12)8(4-6(5)11)14-9-13-1-2-15-9/h1-4H,12H2.
What are the key properties of 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline?
5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline has a molecular weight of 289.13 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline is sourced from PubChem (CID 103483890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).