4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione

C8H6FN3S — CID 83128948

IUPAC4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione
SMILESFc1ccc(-c2c[nH]c(=S)[nH]2)nc1
InChIInChI=1S/C8H6FN3S/c9-5-1-2-6(10-3-5)7-4-11-8(13)12-7/h1-4H,(H2,11,12,13)
InChIKeySULYMNZNSMUACU-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.27
Rot. Bonds1

About 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione

4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione (PubChem CID 83128948) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione
PubChem CID83128948
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione
SMILESFc1ccc(-c2c[nH]c(=S)[nH]2)nc1
InChIInChI=1S/C8H6FN3S/c9-5-1-2-6(10-3-5)7-4-11-8(13)12-7/h1-4H,(H2,11,12,13)
InChIKeySULYMNZNSMUACU-UHFFFAOYSA-N
XLogP2.27
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-fluoro-2-pyridinyl)-1H-pyrimidine-2,4-dione
CID 83128935
2-(5-fluoro-2-pyridinyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474903
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014
5-fluoro-2-(4-isocyanophenyl)pyridine
CID 176758449
5-fluoro-2-(2-piperidin-2-yl-1H-imidazol-5-yl)pyridine
CID 83124993
6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
CID 83125480
2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
CID 83124606
5-fluoro-2-(3,4,5-trichlorophenyl)pyridine
CID 133090365
3-(5-fluoro-2-pyridinyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 104639086
5-ethyl-2-(5-fluoro-2-pyridinyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476856
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 112623637

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione (CID 83128948) is 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione is Fc1ccc(-c2c[nH]c(=S)[nH]2)nc1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is SULYMNZNSMUACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-5-1-2-6(10-3-5)7-4-11-8(13)12-7/h1-4H,(H2,11,12,13).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione?
4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 195.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 83128948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).