7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine

C11H7FN4S2 — CID 83164668

IUPAC7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1cc(F)c(Sc2nncs2)c2ncccc12
InChIInChI=1S/C11H7FN4S2/c12-7-4-8(13)6-2-1-3-14-9(6)10(7)18-11-16-15-5-17-11/h1-5H,13H2
InChIKeyXEPPZVSBQIUEFX-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.96
Rot. Bonds2

About 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine

7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine (PubChem CID 83164668) has the molecular formula C11H7FN4S2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine
PubChem CID83164668
Molecular FormulaC11H7FN4S2
Molecular Weight278.34 g/mol
Exact Mass278.01
IUPAC Name7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1cc(F)c(Sc2nncs2)c2ncccc12
InChIInChI=1S/C11H7FN4S2/c12-7-4-8(13)6-2-1-3-14-9(6)10(7)18-11-16-15-5-17-11/h1-5H,13H2
InChIKeyXEPPZVSBQIUEFX-UHFFFAOYSA-N
XLogP2.96
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine?
The IUPAC name of 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine (CID 83164668) is 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine is Nc1cc(F)c(Sc2nncs2)c2ncccc12.
What is the InChIKey of 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine?
The InChIKey is XEPPZVSBQIUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4S2/c12-7-4-8(13)6-2-1-3-14-9(6)10(7)18-11-16-15-5-17-11/h1-5H,13H2.
What are the key properties of 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine?
7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine has a molecular weight of 278.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine is sourced from PubChem (CID 83164668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).