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

C9H8FN3OS — CID 65273198

IUPAC2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-6-2-3-8(11)7(10)4-6/h2-4H,11H2,1H3
InChIKeyKMHIZEBOFIIDRK-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.36
Rot. Bonds2

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

2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273198) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273198
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCc1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-6-2-3-8(11)7(10)4-6/h2-4H,11H2,1H3
InChIKeyKMHIZEBOFIIDRK-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273198) is 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is Cc1nsc(Oc2ccc(N)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is KMHIZEBOFIIDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-5-12-9(15-13-5)14-6-2-3-8(11)7(10)4-6/h2-4H,11H2,1H3.
What are the key properties of 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
2-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 2-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).