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

C9H7F2N3OS — CID 65273262

IUPAC2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2cc(F)c(N)cc2F)n1
InChIInChI=1S/C9H7F2N3OS/c1-4-13-9(16-14-4)15-8-3-5(10)7(12)2-6(8)11/h2-3H,12H2,1H3
InChIKeyWVHTXEQOJQJLBT-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.50
Rot. Bonds2

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

2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273262) has the molecular formula C9H7F2N3OS and a molecular weight of 243.24 g/mol. Its IUPAC name is 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273262
Molecular FormulaC9H7F2N3OS
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2cc(F)c(N)cc2F)n1
InChIInChI=1S/C9H7F2N3OS/c1-4-13-9(16-14-4)15-8-3-5(10)7(12)2-6(8)11/h2-3H,12H2,1H3
InChIKeyWVHTXEQOJQJLBT-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.50
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 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273262) is 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is Cc1nsc(Oc2cc(F)c(N)cc2F)n1.
What is the InChIKey of 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is WVHTXEQOJQJLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3OS/c1-4-13-9(16-14-4)15-8-3-5(10)7(12)2-6(8)11/h2-3H,12H2,1H3.
What are the key properties of 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 243.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).