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

C11H11F2N3OS — CID 65274480

IUPAC2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCCc1nsc(Oc2cc(F)c(N)cc2F)n1
InChIInChI=1S/C11H11F2N3OS/c1-2-3-10-15-11(18-16-10)17-9-5-6(12)8(14)4-7(9)13/h4-5H,2-3,14H2,1H3
InChIKeyKHHWHPKNVDNXSJ-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.14
Rot. Bonds4

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

2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65274480) has the molecular formula C11H11F2N3OS and a molecular weight of 271.29 g/mol. Its IUPAC name is 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65274480
Molecular FormulaC11H11F2N3OS
Molecular Weight271.29 g/mol
Exact Mass271.06
IUPAC Name2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESCCCc1nsc(Oc2cc(F)c(N)cc2F)n1
InChIInChI=1S/C11H11F2N3OS/c1-2-3-10-15-11(18-16-10)17-9-5-6(12)8(14)4-7(9)13/h4-5H,2-3,14H2,1H3
InChIKeyKHHWHPKNVDNXSJ-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.14
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 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65274480) is 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline is CCCc1nsc(Oc2cc(F)c(N)cc2F)n1.
What is the InChIKey of 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is KHHWHPKNVDNXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3OS/c1-2-3-10-15-11(18-16-10)17-9-5-6(12)8(14)4-7(9)13/h4-5H,2-3,14H2,1H3.
What are the key properties of 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 271.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65274480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).