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

C9H8FN3OS — CID 65273260

IUPAC5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2ccc(F)cc2N)n1
InChIInChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-8-3-2-6(10)4-7(8)11/h2-4H,11H2,1H3
InChIKeyBFZWNKFGJQOYMX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.36
Rot. Bonds2

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

5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273260) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273260
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2ccc(F)cc2N)n1
InChIInChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-8-3-2-6(10)4-7(8)11/h2-4H,11H2,1H3
InChIKeyBFZWNKFGJQOYMX-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.36
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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
CID 65274190
5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103483695
2-(1,3-benzothiazol-2-yloxy)-5-fluoroaniline
CID 62367674
5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133424725
5-(2,6-difluorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133425367
2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
CID 62369184
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
CID 65168674
4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65273212
3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
CID 133425354
5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273904

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273260) is 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is Cc1nsc(Oc2ccc(F)cc2N)n1.
What is the InChIKey of 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is BFZWNKFGJQOYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-8-3-2-6(10)4-7(8)11/h2-4H,11H2,1H3.
What are the key properties of 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 225.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).