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

C11H12FN3OS — CID 65273845

IUPAC2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCCc1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H12FN3OS/c1-2-3-10-14-11(17-15-10)16-7-4-5-9(13)8(12)6-7/h4-6H,2-3,13H2,1H3
InChIKeyRPRJCEQOKSBQMB-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.00
Rot. Bonds4

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

2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273845) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273845
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCCc1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H12FN3OS/c1-2-3-10-14-11(17-15-10)16-7-4-5-9(13)8(12)6-7/h4-6H,2-3,13H2,1H3
InChIKeyRPRJCEQOKSBQMB-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.00
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-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273845) is 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline is CCCc1nsc(Oc2ccc(N)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is RPRJCEQOKSBQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-2-3-10-14-11(17-15-10)16-7-4-5-9(13)8(12)6-7/h4-6H,2-3,13H2,1H3.
What are the key properties of 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 253.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).