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

C8H6FN3OS — CID 65273788

IUPAC2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccc(Oc2ncns2)cc1F
InChIInChI=1S/C8H6FN3OS/c9-6-3-5(1-2-7(6)10)13-8-11-4-12-14-8/h1-4H,10H2
InChIKeyYRWQULNKMHOPGE-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.05
Rot. Bonds2

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

2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline (PubChem CID 65273788) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline.

Molecular Properties

Compound Name2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
PubChem CID65273788
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccc(Oc2ncns2)cc1F
InChIInChI=1S/C8H6FN3OS/c9-6-3-5(1-2-7(6)10)13-8-11-4-12-14-8/h1-4H,10H2
InChIKeyYRWQULNKMHOPGE-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-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole
CID 83234277
2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273845
(2R)-2-[2-fluoro-5-(1,2,4-thiadiazol-5-yloxy)phenyl]morpholine
CID 171653484
5-(1,2,4-thiadiazol-5-yloxy)quinolin-8-amine
CID 116525595
4-[4-[2-[4-(4-amino-3-fluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2-fluoroaniline
CID 19910092
2-fluoro-4-methoxyaniline
CID 3756383
2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline
CID 157047054
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine
CID 7147087
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
CID 63590604
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
The IUPAC name of 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline (CID 65273788) is 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline.
What is the SMILES notation for 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
The canonical SMILES for 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline is Nc1ccc(Oc2ncns2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
The InChIKey is YRWQULNKMHOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c9-6-3-5(1-2-7(6)10)13-8-11-4-12-14-8/h1-4H,10H2.
What are the key properties of 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
2-fluoro-4-(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 2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline is sourced from PubChem (CID 65273788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).