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

C11H12FN3OS — CID 65273846

IUPAC2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCC(C)c1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H12FN3OS/c1-6(2)10-14-11(17-15-10)16-7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3
InChIKeyAATATESHDLGYPT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.18
Rot. Bonds3

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

2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273846) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273846
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCC(C)c1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H12FN3OS/c1-6(2)10-14-11(17-15-10)16-7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3
InChIKeyAATATESHDLGYPT-UHFFFAOYSA-N
XLogP3.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.18
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-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273846) is 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline is CC(C)c1nsc(Oc2ccc(N)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is AATATESHDLGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-6(2)10-14-11(17-15-10)16-7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline?
2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 253.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).