4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

C8H5FIN3S2 — CID 66099779

IUPAC4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
SMILESNc1cc(I)c(F)cc1Sc1nncs1
InChIInChI=1S/C8H5FIN3S2/c9-4-1-7(6(11)2-5(4)10)15-8-13-12-3-14-8/h1-3H,11H2
InChIKeyDXYZZAIPAAJRRL-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.02
Rot. Bonds2

About 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline (PubChem CID 66099779) has the molecular formula C8H5FIN3S2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
PubChem CID66099779
Molecular FormulaC8H5FIN3S2
Molecular Weight353.19 g/mol
Exact Mass352.90
IUPAC Name4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
SMILESNc1cc(I)c(F)cc1Sc1nncs1
InChIInChI=1S/C8H5FIN3S2/c9-4-1-7(6(11)2-5(4)10)15-8-13-12-3-14-8/h1-3H,11H2
InChIKeyDXYZZAIPAAJRRL-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline (CID 66099779) is 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline is Nc1cc(I)c(F)cc1Sc1nncs1.
What is the InChIKey of 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
The InChIKey is DXYZZAIPAAJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FIN3S2/c9-4-1-7(6(11)2-5(4)10)15-8-13-12-3-14-8/h1-3H,11H2.
What are the key properties of 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline?
4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline has a molecular weight of 353.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 66099779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).