3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione

C8H6FN3S — CID 130497219

IUPAC3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione
SMILESFc1cncc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C8H6FN3S/c9-6-3-7(5-10-4-6)12-2-1-11-8(12)13/h1-5H,(H,11,13)
InChIKeyWPJWCLBUDJQTNR-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.07
Rot. Bonds1

About 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione

3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione (PubChem CID 130497219) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione
PubChem CID130497219
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione
SMILESFc1cncc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C8H6FN3S/c9-6-3-7(5-10-4-6)12-2-1-11-8(12)13/h1-5H,(H,11,13)
InChIKeyWPJWCLBUDJQTNR-UHFFFAOYSA-N
XLogP2.07
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione (CID 130497219) is 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione is Fc1cncc(-n2cc[nH]c2=S)c1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione?
The InChIKey is WPJWCLBUDJQTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-6-3-7(5-10-4-6)12-2-1-11-8(12)13/h1-5H,(H,11,13).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione?
3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione has a molecular weight of 195.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione is sourced from PubChem (CID 130497219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).