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

C9H6F2N2OS — CID 63599546

IUPAC2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline
SMILESNc1cc(F)c(Oc2nccs2)cc1F
InChIInChI=1S/C9H6F2N2OS/c10-5-4-8(6(11)3-7(5)12)14-9-13-1-2-15-9/h1-4H,12H2
InChIKeyGOGUOUUFXTXHHA-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.80
Rot. Bonds2

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

2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline (PubChem CID 63599546) has the molecular formula C9H6F2N2OS and a molecular weight of 228.22 g/mol. Its IUPAC name is 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline
PubChem CID63599546
Molecular FormulaC9H6F2N2OS
Molecular Weight228.22 g/mol
Exact Mass228.02
IUPAC Name2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline
SMILESNc1cc(F)c(Oc2nccs2)cc1F
InChIInChI=1S/C9H6F2N2OS/c10-5-4-8(6(11)3-7(5)12)14-9-13-1-2-15-9/h1-4H,12H2
InChIKeyGOGUOUUFXTXHHA-UHFFFAOYSA-N
XLogP2.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.80
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

5-bromo-4-fluoro-2-(1,3-thiazol-2-yloxy)aniline
CID 103483890
2-[4-(3,4-difluorophenyl)-2-fluorophenoxy]-1,3-thiazole
CID 155258447
4-methyl-2-(1,3-thiazol-2-yloxy)aniline
CID 43364080
2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65274480
4-(1,3-thiazol-2-yloxy)benzene-1,2-diamine
CID 21482771
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2,5-difluoroaniline
CID 65274424
2,5-difluoro-4-methoxyaniline
CID 45090681
2-(2-chlorophenoxy)-1,3-thiazole
CID 117189206
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole
CID 117189198
4-ethoxy-5-fluoro-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
CID 55216858
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
CID 63599367

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline?
The IUPAC name of 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline (CID 63599546) is 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline.
What is the SMILES notation for 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline?
The canonical SMILES for 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline is Nc1cc(F)c(Oc2nccs2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline?
The InChIKey is GOGUOUUFXTXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS/c10-5-4-8(6(11)3-7(5)12)14-9-13-1-2-15-9/h1-4H,12H2.
What are the key properties of 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline?
2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline has a molecular weight of 228.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(1,3-thiazol-2-yloxy)aniline is sourced from PubChem (CID 63599546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).