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

C9H8FN3OS — CID 65273018

IUPAC3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,11H2,1H3
InChIKeyQAASPPUZNSKZTK-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.36
Rot. Bonds2

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

3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273018) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273018
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,11H2,1H3
InChIKeyQAASPPUZNSKZTK-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

1-{5-[(4-Methoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 756524
4-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65272957
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273141
2-Fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273198
5-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
2,5-Difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273262
3-Fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273673
4-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273674
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273675
4-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273676
4-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273729
3-Fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273730

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273018) is 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is Cc1nsc(Oc2ccc(N)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is QAASPPUZNSKZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,11H2,1H3.
What are the key properties of 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
3-fluoro-4-[(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 3-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).