4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline

C8H6FN3OS — CID 65274066

IUPAC4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccc(F)cc1Oc1ncns1
InChIInChI=1S/C8H6FN3OS/c9-5-1-2-6(10)7(3-5)13-8-11-4-12-14-8/h1-4H,10H2
InChIKeyONSMEMXZDJVHCB-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.05
Rot. Bonds2

About 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline

4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline (PubChem CID 65274066) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline
PubChem CID65274066
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccc(F)cc1Oc1ncns1
InChIInChI=1S/C8H6FN3OS/c9-5-1-2-6(10)7(3-5)13-8-11-4-12-14-8/h1-4H,10H2
InChIKeyONSMEMXZDJVHCB-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.05
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

5-Fluoro-2-(1-methyltetrazol-5-yl)oxyaniline
CID 63149704
4-Fluoro-2-(1-methyltetrazol-5-yl)oxyaniline
CID 63150295
4-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65272957
5-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
3-Fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273673
2-Fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273788
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 65274124
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 65274125
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 65274126
5-Fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65274133
4-Fluoro-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65274182
4-Fluoro-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65274183

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline?
The IUPAC name of 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline (CID 65274066) is 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline.
What is the SMILES notation for 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline?
The canonical SMILES for 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline is Nc1ccc(F)cc1Oc1ncns1.
What is the InChIKey of 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline?
The InChIKey is ONSMEMXZDJVHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c9-5-1-2-6(10)7(3-5)13-8-11-4-12-14-8/h1-4H,10H2.
What are the key properties of 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline?
4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline has a molecular weight of 211.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,2,4-thiadiazol-5-yloxy)aniline is sourced from PubChem (CID 65274066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).